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

C17H14Cl2N4O2 — CID 22663188

IUPAC2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C17H14Cl2N4O2/c1-25-12-5-4-9(13-15(12)22-16(21-13)8-2-3-8)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,2-3H2,1H3,(H,21,22)(H,20,23,24)
InChIKeySLPPCYGGTCSDJX-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.40
Rot. Bonds4

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

2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide (PubChem CID 22663188) has the molecular formula C17H14Cl2N4O2 and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
PubChem CID22663188
Molecular FormulaC17H14Cl2N4O2
Molecular Weight377.23 g/mol
Exact Mass376.05
IUPAC Name2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CC3)[nH]c12
InChIInChI=1S/C17H14Cl2N4O2/c1-25-12-5-4-9(13-15(12)22-16(21-13)8-2-3-8)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,2-3H2,1H3,(H,21,22)(H,20,23,24)
InChIKeySLPPCYGGTCSDJX-UHFFFAOYSA-N
XLogP4.40
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Indole chloropyridinyl-ester derived, 7k
CID 156907348
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
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-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide (CID 22663188) is 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CC3)[nH]c12.
What is the InChIKey of 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
The InChIKey is SLPPCYGGTCSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O2/c1-25-12-5-4-9(13-15(12)22-16(21-13)8-2-3-8)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,2-3H2,1H3,(H,21,22)(H,20,23,24).
What are the key properties of 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide?
2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22663188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).