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2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide

C25H22N4O2 — CID 122182315

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)nc12
InChIInChI=1S/C25H22N4O2/c26-23(30)20-4-3-5-21-22(20)28-24(27-21)18-10-6-16(7-11-18)17-8-12-19(13-9-17)25(31)29-14-1-2-15-29/h3-13H,1-2,14-15H2,(H2,26,30)(H,27,28)
InChIKeyRDJCULJUVAESMA-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.23
Rot. Bonds4

About 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide

2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 122182315) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID122182315
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)nc12
InChIInChI=1S/C25H22N4O2/c26-23(30)20-4-3-5-21-22(20)28-24(27-21)18-10-6-16(7-11-18)17-8-12-19(13-9-17)25(31)29-14-1-2-15-29/h3-13H,1-2,14-15H2,(H2,26,30)(H,27,28)
InChIKeyRDJCULJUVAESMA-UHFFFAOYSA-N
XLogP4.23
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide (CID 122182315) is 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)N5CCCC5)cc4)cc3)nc12.
What is the InChIKey of 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is RDJCULJUVAESMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c26-23(30)20-4-3-5-21-22(20)28-24(27-21)18-10-6-16(7-11-18)17-8-12-19(13-9-17)25(31)29-14-1-2-15-29/h3-13H,1-2,14-15H2,(H2,26,30)(H,27,28).
What are the key properties of 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122182315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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