2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide

C20H20Cl2N4O2 — CID 22663362

IUPAC2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1nc(C1CCCC1)n2C
InChIInChI=1S/C20H20Cl2N4O2/c1-26-18-12(20(27)25-16-13(21)9-23-10-14(16)22)7-8-15(28-2)17(18)24-19(26)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,23,25,27)
InChIKeyPRBJXJVNHLJRAG-UHFFFAOYSA-N
MW419.31 g/mol
LogP5.19
Rot. Bonds4

About 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide

2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide (PubChem CID 22663362) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
PubChem CID22663362
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1nc(C1CCCC1)n2C
InChIInChI=1S/C20H20Cl2N4O2/c1-26-18-12(20(27)25-16-13(21)9-23-10-14(16)22)7-8-15(28-2)17(18)24-19(26)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,23,25,27)
InChIKeyPRBJXJVNHLJRAG-UHFFFAOYSA-N
XLogP5.19
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.31
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663188
N-(3,5-Dichloro-4-pyridinyl)-2-(trifluoromethyl)-4-methoxy-1H-benzimidazole-7-carboxamide
CID 18316653
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663201
2-benzyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
CID 22663228
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 22663297
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-(2-phenylethyl)-1H-benzimidazole-4-carboxamide
CID 22663307
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-methyl-1H-benzimidazole-4-carboxamide
CID 22663370
N-(3,5-Dichloro-4-pyridinyl)-1-methyl-2-(trifluoromethyl)-4-methoxy-1H-benzimidazole-7-carboxamide
CID 44288639
2-acetyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
CID 44288640
[3-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 56667013
N-(3,5-dichloro-1-hydroxy-4-pyridinylidene)-7-methoxy-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
CID 44325316

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide (CID 22663362) is 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2c1nc(C1CCCC1)n2C.
What is the InChIKey of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide?
The InChIKey is PRBJXJVNHLJRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O2/c1-26-18-12(20(27)25-16-13(21)9-23-10-14(16)22)7-8-15(28-2)17(18)24-19(26)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,23,25,27).
What are the key properties of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide?
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide has a molecular weight of 419.31 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide is sourced from PubChem (CID 22663362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).