(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H19N5O3 — CID 39341801

IUPAC(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O3/c26-17(24-20-22-15-8-4-5-9-16(15)23-20)11-21-19(28)13-10-18(27)25(12-13)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,28)(H2,22,23,24,26)/t13-/m1/s1
InChIKeyILOKDODLBJPJQL-CYBMUJFWSA-N
MW377.40 g/mol
LogP1.67
Rot. Bonds5

About (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 39341801) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID39341801
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESO=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H19N5O3/c26-17(24-20-22-15-8-4-5-9-16(15)23-20)11-21-19(28)13-10-18(27)25(12-13)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,28)(H2,22,23,24,26)/t13-/m1/s1
InChIKeyILOKDODLBJPJQL-CYBMUJFWSA-N
XLogP1.67
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29131530
(3S)-N-(1H-benzimidazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234783
(3R)-N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39044150
(3R)-N-[2-(4-hydroxyanilino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39352253
(3S)-N-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42536564
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
(3R)-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39337801
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4794813
(3R)-N-(1H-benzimidazol-2-yl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40620890
(3S)-5-oxo-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1-phenylpyrrolidine-3-carboxamide
CID 39045222
N-(1H-benzimidazol-2-yl)-1-(3-chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650160

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 39341801) is (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is O=C(CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)Nc1nc2ccccc2[nH]1.
What is the InChIKey of (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is ILOKDODLBJPJQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-17(24-20-22-15-8-4-5-9-16(15)23-20)11-21-19(28)13-10-18(27)25(12-13)14-6-2-1-3-7-14/h1-9,13H,10-12H2,(H,21,28)(H2,22,23,24,26)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 39341801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).