Basic information
- CAS
132036-39-6- Standard SMILES
Cn1cc(C(=O)C2CCc3nc[nH]c3C2)c2ccccc21- InChIKey
NTHPAPBPFQJABD-UHFFFAOYSA-N- Molecular formula
- C17H17N3O
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.13716217
Names & identifiers
- Preferred name
- (1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanone
- IUPAC
- (1-methylindol-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone
- English name
- 5-[(1-Methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-bezimidazole
- Molecular formula
- C17H17N3O
- Molecular weight
- 279.34
Names & synonyms
132036-39-6(1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanone5-[(1-Methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-bezimidazole(1-methylindol-3-yl)-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)methanone6-(1-methyl-1H-indole-3-carbonyl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazoleNTHPAPBPFQJABD-UHFFFAOYSA-Nmethanone, (1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)- (9ci)CHEMBL325422SCHEMBL2021739SCHEMBL3865249(R)-(1-Methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanoneZINC00004624
Show more names
(R)-5-[(1-methyl-3-indolyl)carbonyl]-4,5,6,7-tetrahydro-1H-benzimidazoleMethanone, (1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-6-yl)-
(1-Methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzimidazol-6-yl)methanone5-[(1-methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1h-bezimidazole, 98+%AKOS015896002AC-6375SB19072(1-methyl-1h-indol-3-yl)(4,5,6,7-tetrahydro-1h-benzo[d]imidazol-5-yl)methanoneFM148522DB-306380
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Physicochemical properties
- Boiling point
- 579.7 · 579.7±50.0 °C(Predicted)
- Density
- 1.33 · 1.33
- pka
- 14.57 · 14.57±0.40(Predicted)
- InChI
- InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)
- InChIKey
- NTHPAPBPFQJABD-UHFFFAOYSA-N
- SMILES
- C(C1C2=C(N(C)C=1)C=CC=C2)(C1CC2NC=NC=2CC1)=O
Chemistry & industry
Applications
Uses5-[(1-Methylindole-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-bezimidazole can be used as antiinflammatories as synergistic antiitching drugs.
Upstream & downstream products
Downstream products
Suppliers17 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南部县诚信科技有限公司0838-5675166 15883665058 · [email protected]
随州市红旗化工有限公司0722-3257376 13026100080;13235518175 · [email protected]
越林试剂021-62960152 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海皓骏医药科技有限公司021-34621078 13120882795 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
上海仁实医药科技有限公司021-61150625 18521367657 · [email protected]
深圳市华信医药科技有限公司15671363360 · [email protected]
Related reactions
5 records
Compound notes
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