7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide

C19H25ClN4O2 — CID 139751107

IUPAC7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide
SMILESCOc1c(C(N)=O)cc(Cl)c2c1nc(C)n2C1CCCCN(C2CC2)C1
InChIInChI=1S/C19H25ClN4O2/c1-11-22-16-17(15(20)9-14(19(21)25)18(16)26-2)24(11)13-5-3-4-8-23(10-13)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H2,21,25)
InChIKeyYIIOGSHIVGLOSS-UHFFFAOYSA-N
MW376.89 g/mol
LogP3.30
Rot. Bonds4

About 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide

7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide (PubChem CID 139751107) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide
PubChem CID139751107
Molecular FormulaC19H25ClN4O2
Molecular Weight376.89 g/mol
Exact Mass376.17
IUPAC Name7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide
SMILESCOc1c(C(N)=O)cc(Cl)c2c1nc(C)n2C1CCCCN(C2CC2)C1
InChIInChI=1S/C19H25ClN4O2/c1-11-22-16-17(15(20)9-14(19(21)25)18(16)26-2)24(11)13-5-3-4-8-23(10-13)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H2,21,25)
InChIKeyYIIOGSHIVGLOSS-UHFFFAOYSA-N
XLogP3.30
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-3H-benzimidazole-5-carboxylate
CID 58762894
Methyl 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-1-(methoxymethyl)benzimidazole-5-carboxylate
CID 58762897
7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide
CID 58763009
Methyl 7-chloro-1-[(4-fluorophenyl)methyl]-4-methoxy-2-methylbenzimidazole-5-carboxylate
CID 58763123
7-chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carboxamide
CID 58763194
7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide
CID 58763215
Methyl 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-1-methylbenzimidazole-5-carboxylate
CID 58774747
Methyl 7-chloro-1-[(4-fluorophenyl)methyl]-4-hydroxy-2-methylbenzimidazole-5-carboxylate
CID 60100902
7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 71056494
4-Chloro-1-ethyl-8-piperidin-4-yl-2-(trifluoromethyl)pyrano[2,3-e]benzimidazol-6-one;hydrochloride
CID 176399386
Tert-butyl 4-[4-chloro-6-oxo-1-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)pyrano[2,3-e]benzimidazol-8-yl]piperidine-1-carboxylate
CID 176399409
4-Chloro-1-methyl-8-piperidin-4-yl-2-(trifluoromethyl)pyrano[2,3-e]benzimidazol-6-one;hydrochloride
CID 176399503

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide (CID 139751107) is 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide is COc1c(C(N)=O)cc(Cl)c2c1nc(C)n2C1CCCCN(C2CC2)C1.
What is the InChIKey of 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide?
The InChIKey is YIIOGSHIVGLOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-11-22-16-17(15(20)9-14(19(21)25)18(16)26-2)24(11)13-5-3-4-8-23(10-13)12-6-7-12/h9,12-13H,3-8,10H2,1-2H3,(H2,21,25).
What are the key properties of 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide?
7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide has a molecular weight of 376.89 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(1-cyclopropylazepan-3-yl)-4-methoxy-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 139751107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).