(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C21H22N4O3 — CID 35738491

IUPAC(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C21H22N4O3/c1-3-24-18-7-5-4-6-17(18)22-21(24)23-20(27)14-12-19(26)25(13-14)15-8-10-16(28-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,27)/t14-/m1/s1
InChIKeyUXIWSHCYDNUDQP-CQSZACIVSA-N
MW378.43 g/mol
LogP3.06
Rot. Bonds5

About (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 35738491) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID35738491
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCn1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21
InChIInChI=1S/C21H22N4O3/c1-3-24-18-7-5-4-6-17(18)22-21(24)23-20(27)14-12-19(26)25(13-14)15-8-10-16(28-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,27)/t14-/m1/s1
InChIKeyUXIWSHCYDNUDQP-CQSZACIVSA-N
XLogP3.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chlorophenyl)-N-(1-ethylbenzimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 43058942
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25349789
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25350413
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3S)-1-cyclopropyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 36809640
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
(3R)-1-cyclopentyl-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25346487
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 35738491) is (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCn1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)nc2ccccc21.
What is the InChIKey of (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UXIWSHCYDNUDQP-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-24-18-7-5-4-6-17(18)22-21(24)23-20(27)14-12-19(26)25(13-14)15-8-10-16(28-2)11-9-15/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,27)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-ethylbenzimidazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 35738491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).