2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide

C21H22Cl2N4O2 — CID 139836050

IUPAC2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)n(C)c12
InChIInChI=1S/C21H22Cl2N4O2/c1-27-20-16(29-2)8-7-13(18(20)26-21(27)12-5-3-4-6-12)9-17(28)25-19-14(22)10-24-11-15(19)23/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25,28)
InChIKeyVBWLSDMVUPCGMR-UHFFFAOYSA-N
MW433.34 g/mol
LogP5.12
Rot. Bonds5

About 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide

2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide (PubChem CID 139836050) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide
PubChem CID139836050
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)n(C)c12
InChIInChI=1S/C21H22Cl2N4O2/c1-27-20-16(29-2)8-7-13(18(20)26-21(27)12-5-3-4-6-12)9-17(28)25-19-14(22)10-24-11-15(19)23/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25,28)
InChIKeyVBWLSDMVUPCGMR-UHFFFAOYSA-N
XLogP5.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide with MolForge

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Related Compounds

2-cyclopentyl-7-methoxy-1-methylbenzimidazole-4-carboxylic acid;hydrochloride
CID 67628460
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
2-(5-acetyl-2-methoxyphenyl)-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)acetamide
CID 71907055
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-2,5-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole-9-carboxamide
CID 11546231
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
CID 11683670
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-6-(oxolan-3-yloxy)pyridine-2-carboxamide
CID 23204546
N-(5-chloro-2-methoxyphenyl)-2-(2-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 50749939
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
1-[2-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,5-dichloro-4-pyridinyl)thiourea
CID 983123
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dichlorophenyl)acetamide
CID 7426986
2-(5-chloro-2-methoxyphenyl)-N-cyclopentyloxyacetamide
CID 83202101
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide?
The IUPAC name of 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide (CID 139836050) is 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide?
The canonical SMILES for 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide is COc1ccc(CC(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)n(C)c12.
What is the InChIKey of 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide?
The InChIKey is VBWLSDMVUPCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c1-27-20-16(29-2)8-7-13(18(20)26-21(27)12-5-3-4-6-12)9-17(28)25-19-14(22)10-24-11-15(19)23/h7-8,10-12H,3-6,9H2,1-2H3,(H,24,25,28).
What are the key properties of 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide?
2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide has a molecular weight of 433.34 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-7-methoxy-1-methylbenzimidazol-4-yl)-N-(3,5-dichloro-4-pyridinyl)acetamide is sourced from PubChem (CID 139836050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).