4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one

C19H19N3O — CID 4697741

IUPAC4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc2nc(C3CC(=O)N(c4ccccc4C)C3)[nH]c2c1
InChIInChI=1S/C19H19N3O/c1-12-7-8-15-16(9-12)21-19(20-15)14-10-18(23)22(11-14)17-6-4-3-5-13(17)2/h3-9,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyHYMSVSWVPRAKEM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.70
Rot. Bonds2

About 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one

4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 4697741) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID4697741
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccc2nc(C3CC(=O)N(c4ccccc4C)C3)[nH]c2c1
InChIInChI=1S/C19H19N3O/c1-12-7-8-15-16(9-12)21-19(20-15)14-10-18(23)22(11-14)17-6-4-3-5-13(17)2/h3-9,14H,10-11H2,1-2H3,(H,20,21)
InChIKeyHYMSVSWVPRAKEM-UHFFFAOYSA-N
XLogP3.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
CID 71783829
(4R)-1-[(4-methoxyphenyl)methyl]-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 96571566
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 3806388
(4S)-4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 7080677

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one (CID 4697741) is 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccc2nc(C3CC(=O)N(c4ccccc4C)C3)[nH]c2c1.
What is the InChIKey of 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is HYMSVSWVPRAKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-7-8-15-16(9-12)21-19(20-15)14-10-18(23)22(11-14)17-6-4-3-5-13(17)2/h3-9,14H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one?
4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 4697741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).