2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

C27H25ClN4O3 — CID 96571193

IUPAC2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O
InChIInChI=1S/C27H25ClN4O3/c1-30(20-8-4-3-5-9-20)26(34)17-32-22-11-7-6-10-21(22)29-27(32)18-14-25(33)31(16-18)23-15-19(28)12-13-24(23)35-2/h3-13,15,18H,14,16-17H2,1-2H3/t18-/m1/s1
InChIKeyXGPZPMBRRDDEBJ-GOSISDBHSA-N
MW488.98 g/mol
LogP4.88
Rot. Bonds6

About 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide

2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (PubChem CID 96571193) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
PubChem CID96571193
Molecular FormulaC27H25ClN4O3
Molecular Weight488.98 g/mol
Exact Mass488.16
IUPAC Name2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
SMILESCOc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O
InChIInChI=1S/C27H25ClN4O3/c1-30(20-8-4-3-5-9-20)26(34)17-32-22-11-7-6-10-21(22)29-27(32)18-14-25(33)31(16-18)23-15-19(28)12-13-24(23)35-2/h3-13,15,18H,14,16-17H2,1-2H3/t18-/m1/s1
InChIKeyXGPZPMBRRDDEBJ-GOSISDBHSA-N
XLogP4.88
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 35179935
(4S)-1-(5-chloro-2-methoxyphenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698871
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387084
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159
N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
1-(5-chloro-2-methoxyphenyl)-4-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 118984936
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40512734
(4R)-4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40852442
1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17027757
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387082
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35177293
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 4038407

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide (CID 96571193) is 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)CC1=O.
What is the InChIKey of 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
The InChIKey is XGPZPMBRRDDEBJ-GOSISDBHSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c1-30(20-8-4-3-5-9-20)26(34)17-32-22-11-7-6-10-21(22)29-27(32)18-14-25(33)31(16-18)23-15-19(28)12-13-24(23)35-2/h3-13,15,18H,14,16-17H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide?
2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide has a molecular weight of 488.98 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 96571193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).