N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C24H21N5O2 — CID 55810881

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C24H21N5O2/c30-22-13-17(14-29(22)15-19-5-3-4-12-25-19)24(31)26-18-10-8-16(9-11-18)23-27-20-6-1-2-7-21(20)28-23/h1-12,17H,13-15H2,(H,26,31)(H,27,28)
InChIKeyZUOCVPFXULNETF-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.61
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55810881) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55810881
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C24H21N5O2/c30-22-13-17(14-29(22)15-19-5-3-4-12-25-19)24(31)26-18-10-8-16(9-11-18)23-27-20-6-1-2-7-21(20)28-23/h1-12,17H,13-15H2,(H,26,31)(H,27,28)
InChIKeyZUOCVPFXULNETF-UHFFFAOYSA-N
XLogP3.61
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(diethylamino)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183968
methyl 4-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 51940737
5-oxo-1-(pyridin-2-ylmethyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55874028
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 60529499
(3R)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825226
N-(1H-benzimidazol-2-yl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17409393
methyl 3-[[(3R)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 51940747
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55873682
N-[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 156584180
(3R)-N-(5-methyl-2-pyridinyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38418060

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55810881) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ZUOCVPFXULNETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c30-22-13-17(14-29(22)15-19-5-3-4-12-25-19)24(31)26-18-10-8-16(9-11-18)23-27-20-6-1-2-7-21(20)28-23/h1-12,17H,13-15H2,(H,26,31)(H,27,28).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55810881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).