Basic information
- CAS
390811-95-7- Standard SMILES
O=C(O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1- InChIKey
JTLQUCGDQKGJMM-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13174244
Names & identifiers
- Preferred name
- 1-Cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carboxylic acid
- IUPAC
- 1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid
- English name
- 1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID
- Molecular formula
- C18H18N2O3
- Molecular weight
- 310.35
Names & synonyms
390811-95-7DTXSID203332061-Cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carboxylic acidRefChem:229713DTXCID902842961-cyclohexyl-2-(furan-3-yl)-1H-benzo[d]imidazole-5-carboxylic acid1-CYCLOHEXYL-2-(3-FURANYL)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID1-cyclohexyl-2-(furan-3-yl)benzimidazole-5-carboxylic acid1H-Benzimidazole-5-carboxylicacid, 1-cyclohexyl-2-(3-furanyl)-MFCD09743847CHEMBL1751771-cyclohexyl-2-(3-furyl)benzimidazole-5-carboxylic acid
Show more names
1-cyclohexyl-2-(3-furanyl)-1-cyclohexyl-2-(3-furanyl)-5-benzimidazolecarboxylic acid
1-Cyclohexyl-2-furan-3-yl-1H-benzoimidazole-5-carboxylic acidSCHEMBL5110455JTLQUCGDQKGJMM-UHFFFAOYSA-N1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(3-furanyl)-BDBM50137488AKOS027327777AS-42213DB-050017
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 280 °C · >280 °C (decomp)
- Boiling point
- 553 · 553.0±56.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 2.84 · 2.84±0.30(Predicted)
Chemistry & industry
Suppliers4 total
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
青岛浩海安杰医药科技有限公司156-6622-8711 18639325623 · [email protected]
广州科檬生物科技有限公司400-168-9330 15013243073 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
39 records
Compound notes
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