1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide

C18H19N3OS — CID 23515839

IUPAC1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide
SMILESCc1ccc(-c2nc3cc(C(N)=O)ccc3n2C2CCCC2)s1
InChIInChI=1S/C18H19N3OS/c1-11-6-9-16(23-11)18-20-14-10-12(17(19)22)7-8-15(14)21(18)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H2,19,22)
InChIKeyYJWKPWPHUOXPMH-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.29
Rot. Bonds3

About 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide

1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide (PubChem CID 23515839) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide
PubChem CID23515839
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide
SMILESCc1ccc(-c2nc3cc(C(N)=O)ccc3n2C2CCCC2)s1
InChIInChI=1S/C18H19N3OS/c1-11-6-9-16(23-11)18-20-14-10-12(17(19)22)7-8-15(14)21(18)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H2,19,22)
InChIKeyYJWKPWPHUOXPMH-UHFFFAOYSA-N
XLogP4.29
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide (CID 23515839) is 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide is Cc1ccc(-c2nc3cc(C(N)=O)ccc3n2C2CCCC2)s1.
What is the InChIKey of 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide?
The InChIKey is YJWKPWPHUOXPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-6-9-16(23-11)18-20-14-10-12(17(19)22)7-8-15(14)21(18)13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H2,19,22).
What are the key properties of 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide?
1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(5-methylthiophen-2-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 23515839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).