Basic information
- CAS
26751-24-6- Standard SMILES
O=C(O)C1CCc2nc[nH]c2C1- InChIKey
LQXRWFGXMQZLIV-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
- IUPAC
- 4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid
- English name
- 4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
26751-24-64,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic acid4,5,6,7-tetrahydro-1H-benzo[d]imidazole-5-carboxylic acid4,5,6,7-tetrahydro-1H-benzimidazole-5-carboxylic acidMFCD038398664,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylic acid, 4,5,6,7-tetrahydro-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-5-carboxylic acid749184-49-4Ramosetron Impurity 4SCHEMBL3176454SCHEMBL6851022
Show more names
4,5,6,7-Tetrahydro-1H-benzo[d]imidazole-6-carboxylic acidRamosetron Impurity 15Ramosetron Impurity 114,5,6,7-Tetrahydro-1H-benziMidazole-5-carboxylic4,5,6,7-Tetrahydro-1H-benzoimidazole-5-carboxylic4,5,6,7-Tetrahydro-1H-benzimidazole-6-carboxylic acid1H-Benzimidazole-6-carboxylic acid, 4,5,6,7-tetrahydro-
CHEMBL17897984,5,6,7-Tetrahydro-1H-benzo[d]imidazole-5-carboxylicacidDTXSID40949560LQXRWFGXMQZLIV-UHFFFAOYSA-NAKOS005765993AC-6729SS-3113SY023404
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 498.3 · 498.3±45.0 °C(Predicted)
- Density
- 1.384 · 1.384±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 3.94 · 3.94±0.20(Predicted)
- InChI
- InChI=1S/C8H10N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h4-5H,1-3H2,(H,9,10)(H,11,12)
- InChIKey
- LQXRWFGXMQZLIV-UHFFFAOYSA-N
- SMILES
- C1NC2CC(C(O)=O)CCC=2N=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Applications
Uses4,5,6,7-Tetrahydro-1H-benzimidazole-5-carboxylic Acid is a conformationally restricted inhibitor of active thrombin activatable fibrinolysis inhibitor (TAFI) . Activated TAFI protects fibrin clots against lysis.
Suppliers51 total
济南百隆化学有限公司[email protected] · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
10 records
Compound notes
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