2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide

C18H18N4O — CID 46205122

IUPAC2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C4CCNC4)cc3)nc12
InChIInChI=1S/C18H18N4O/c19-17(23)14-2-1-3-15-16(14)22-18(21-15)12-6-4-11(5-7-12)13-8-9-20-10-13/h1-7,13,20H,8-10H2,(H2,19,23)(H,21,22)
InChIKeyAJHYSGSNCMPGLY-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.41
Rot. Bonds3

About 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide

2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 46205122) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID46205122
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C4CCNC4)cc3)nc12
InChIInChI=1S/C18H18N4O/c19-17(23)14-2-1-3-15-16(14)22-18(21-15)12-6-4-11(5-7-12)13-8-9-20-10-13/h1-7,13,20H,8-10H2,(H2,19,23)(H,21,22)
InChIKeyAJHYSGSNCMPGLY-UHFFFAOYSA-N
XLogP2.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide (CID 46205122) is 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(C4CCNC4)cc3)nc12.
What is the InChIKey of 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is AJHYSGSNCMPGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-17(23)14-2-1-3-15-16(14)22-18(21-15)12-6-4-11(5-7-12)13-8-9-20-10-13/h1-7,13,20H,8-10H2,(H2,19,23)(H,21,22).
What are the key properties of 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide?
2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-3-ylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46205122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).