(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one

C19H19N3O — CID 40500355

IUPAC(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1
InChIInChI=1S/C19H19N3O/c1-12-7-8-17(13(2)9-12)22-11-14(10-18(22)23)19-20-15-5-3-4-6-16(15)21-19/h3-9,14H,10-11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyCFPJVGNMBPOINZ-CQSZACIVSA-N
MW305.38 g/mol
LogP3.70
Rot. Bonds2

About (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one

(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 40500355) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID40500355
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1
InChIInChI=1S/C19H19N3O/c1-12-7-8-17(13(2)9-12)22-11-14(10-18(22)23)19-20-15-5-3-4-6-16(15)21-19/h3-9,14H,10-11H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyCFPJVGNMBPOINZ-CQSZACIVSA-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

4-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
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
4-(1H-benzimidazol-2-yl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 163330053
1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
1-(2,4-dimethylphenyl)-4-[1-(1-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18811111
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
(4S)-1-(4-ethoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 924808

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one (CID 40500355) is (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2C[C@H](c3nc4ccccc4[nH]3)CC2=O)c(C)c1.
What is the InChIKey of (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is CFPJVGNMBPOINZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O/c1-12-7-8-17(13(2)9-12)22-11-14(10-18(22)23)19-20-15-5-3-4-6-16(15)21-19/h3-9,14H,10-11H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one?
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)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 (4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 40500355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).