2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide

C19H18Cl2N4O2 — CID 22663201

IUPAC2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)[nH]c12
InChIInChI=1S/C19H18Cl2N4O2/c1-27-14-7-6-11(19(26)25-16-12(20)8-22-9-13(16)21)15-17(14)24-18(23-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyOZDUMOKVDZODEB-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.18
Rot. Bonds4

About 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide

2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide (PubChem CID 22663201) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
PubChem CID22663201
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC Name2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)[nH]c12
InChIInChI=1S/C19H18Cl2N4O2/c1-27-14-7-6-11(19(26)25-16-12(20)8-22-9-13(16)21)15-17(14)24-18(23-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,23,24)(H,22,25,26)
InChIKeyOZDUMOKVDZODEB-UHFFFAOYSA-N
XLogP5.18
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indole chloropyridinyl-ester derived, 7k
CID 156907348
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-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
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-methylbenzimidazole-4-carboxamide
CID 22663362
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
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-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide (CID 22663201) is 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)[nH]c12.
What is the InChIKey of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The InChIKey is OZDUMOKVDZODEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c1-27-14-7-6-11(19(26)25-16-12(20)8-22-9-13(16)21)15-17(14)24-18(23-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,23,24)(H,22,25,26).
What are the key properties of 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide has a molecular weight of 405.29 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22663201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).