1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

C29H25N3O — CID 17002642

IUPAC1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccccc1N1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O
InChIInChI=1S/C29H25N3O/c1-20-9-2-6-15-26(20)31-19-23(17-28(31)33)29-30-25-14-5-7-16-27(25)32(29)18-22-12-8-11-21-10-3-4-13-24(21)22/h2-16,23H,17-19H2,1H3
InChIKeyCNAKJNNGWSUWST-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.07
Rot. Bonds4

About 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17002642) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17002642
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccccc1N1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O
InChIInChI=1S/C29H25N3O/c1-20-9-2-6-15-26(20)31-19-23(17-28(31)33)29-30-25-14-5-7-16-27(25)32(29)18-22-12-8-11-21-10-3-4-13-24(21)22/h2-16,23H,17-19H2,1H3
InChIKeyCNAKJNNGWSUWST-UHFFFAOYSA-N
XLogP6.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738
1-(2-chlorophenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889248
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
(4R)-4-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 35179994
(4S)-1-(4-methoxyphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40836176
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041
(4S)-4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 25338479
(4R)-4-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 39116042
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056
4-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 17002662

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17002642) is 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccccc1N1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O.
What is the InChIKey of 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is CNAKJNNGWSUWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c1-20-9-2-6-15-26(20)31-19-23(17-28(31)33)29-30-25-14-5-7-16-27(25)32(29)18-22-12-8-11-21-10-3-4-13-24(21)22/h2-16,23H,17-19H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 431.54 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-4-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17002642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).