N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C20H20N4O2 — CID 17409393

IUPACN-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3nc4ccccc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H20N4O2/c1-13-6-8-14(9-7-13)11-24-12-15(10-18(24)25)19(26)23-20-21-16-4-2-3-5-17(16)22-20/h2-9,15H,10-12H2,1H3,(H2,21,22,23,26)
InChIKeyWEWRYNAHZHVJAQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.86
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17409393) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17409393
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(CN2CC(C(=O)Nc3nc4ccccc4[nH]3)CC2=O)cc1
InChIInChI=1S/C20H20N4O2/c1-13-6-8-14(9-7-13)11-24-12-15(10-18(24)25)19(26)23-20-21-16-4-2-3-5-17(16)22-20/h2-9,15H,10-12H2,1H3,(H2,21,22,23,26)
InChIKeyWEWRYNAHZHVJAQ-UHFFFAOYSA-N
XLogP2.86
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9113859
(3S)-N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39310520
N-(1H-benzimidazol-2-yl)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42653435
(3S)-1-[(4-methylphenyl)methyl]-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25347661
N-(1H-benzimidazol-2-ylmethyl)-1-benzyl-5-oxopyrrolidine-3-carboxamide
CID 78769860
(3S)-N-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7733138
(3S)-N-(1H-benzimidazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234783
(3S)-1-[(4-methoxyphenyl)methyl]-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017840
(3R)-N-(1H-benzimidazol-2-yl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 40633944
N-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51064472
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
(3R)-1-benzyl-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 2089479

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 17409393) is N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(CN2CC(C(=O)Nc3nc4ccccc4[nH]3)CC2=O)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WEWRYNAHZHVJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-6-8-14(9-7-13)11-24-12-15(10-18(24)25)19(26)23-20-21-16-4-2-3-5-17(16)22-20/h2-9,15H,10-12H2,1H3,(H2,21,22,23,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17409393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).