N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide

C27H26N4O2 — CID 40841159

IUPACN-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
SMILESCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H26N4O2/c1-19-12-14-22(15-13-19)30-17-20(16-25(30)32)27-28-23-10-6-7-11-24(23)31(27)18-26(33)29(2)21-8-4-3-5-9-21/h3-15,20H,16-18H2,1-2H3/t20-/m0/s1
InChIKeyXYOIDYLEZWYZQK-FQEVSTJZSA-N
MW438.53 g/mol
LogP4.53
Rot. Bonds5

About N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide

N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide (PubChem CID 40841159) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
PubChem CID40841159
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC NameN-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
SMILESCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)cc1
InChIInChI=1S/C27H26N4O2/c1-19-12-14-22(15-13-19)30-17-20(16-25(30)32)27-28-23-10-6-7-11-24(23)31(27)18-26(33)29(2)21-8-4-3-5-9-21/h3-15,20H,16-18H2,1-2H3/t20-/m0/s1
InChIKeyXYOIDYLEZWYZQK-FQEVSTJZSA-N
XLogP4.53
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387139
ethyl 2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40773738
2-[2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 35179935
(4R)-1-(4-methylphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40504930
2-[2-[(3R)-1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 96571193
N-cyclohexyl-N-methyl-2-[2-(5-oxo-1-phenylpyrrolidin-3-yl)benzimidazol-1-yl]acetamide
CID 17002613
(4R)-1-(4-methylphenyl)-4-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387146
N-ethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 17005016
1-(4-methylphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3841215
2-[2-[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-diethylacetamide
CID 17004782

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
The IUPAC name of N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide (CID 40841159) is N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
The canonical SMILES for N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide is Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)N(C)c3ccccc3)CC2=O)cc1.
What is the InChIKey of N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
The InChIKey is XYOIDYLEZWYZQK-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-19-12-14-22(15-13-19)30-17-20(16-25(30)32)27-28-23-10-6-7-11-24(23)31(27)18-26(33)29(2)21-8-4-3-5-9-21/h3-15,20H,16-18H2,1-2H3/t20-/m0/s1.
What are the key properties of N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide?
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide has a molecular weight of 438.53 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 40841159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).