N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide

C20H21N3O — CID 4055046

IUPACN-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)c1
InChIInChI=1S/C20H21N3O/c1-14-5-4-8-17(11-14)23-13-21-18-12-15(9-10-19(18)23)20(24)22-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyNWSPJXSJAQOQGW-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.01
Rot. Bonds3

About N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide

N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide (PubChem CID 4055046) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
PubChem CID4055046
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)c1
InChIInChI=1S/C20H21N3O/c1-14-5-4-8-17(11-14)23-13-21-18-12-15(9-10-19(18)23)20(24)22-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyNWSPJXSJAQOQGW-UHFFFAOYSA-N
XLogP4.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide (CID 4055046) is N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide is Cc1cccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)c1.
What is the InChIKey of N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
The InChIKey is NWSPJXSJAQOQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-5-4-8-17(11-14)23-13-21-18-12-15(9-10-19(18)23)20(24)22-16-6-2-3-7-16/h4-5,8-13,16H,2-3,6-7H2,1H3,(H,22,24).
What are the key properties of N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide?
N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(3-methylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 4055046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).