2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

C20H22N4O — CID 25190732

IUPAC2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCN(CCc4ccccc4)C3)nc12
InChIInChI=1S/C20H22N4O/c21-19(25)16-7-4-8-17-18(16)23-20(22-17)15-10-12-24(13-15)11-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,21,25)(H,22,23)
InChIKeySXNHZOTZEGGBEB-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.69
Rot. Bonds5

About 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide

2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (PubChem CID 25190732) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
PubChem CID25190732
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCN(CCc4ccccc4)C3)nc12
InChIInChI=1S/C20H22N4O/c21-19(25)16-7-4-8-17-18(16)23-20(22-17)15-10-12-24(13-15)11-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,21,25)(H,22,23)
InChIKeySXNHZOTZEGGBEB-UHFFFAOYSA-N
XLogP2.69
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide (CID 25190732) is 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCN(CCc4ccccc4)C3)nc12.
What is the InChIKey of 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
The InChIKey is SXNHZOTZEGGBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-19(25)16-7-4-8-17-18(16)23-20(22-17)15-10-12-24(13-15)11-9-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H2,21,25)(H,22,23).
What are the key properties of 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide?
2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25190732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).