4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one

C19H19N3O — CID 3159987

IUPAC4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C19H19N3O/c1-2-13-7-3-6-10-17(13)22-12-14(11-18(22)23)19-20-15-8-4-5-9-16(15)21-19/h3-10,14H,2,11-12H2,1H3,(H,20,21)
InChIKeyPEAGCENQDLIFPK-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.65
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one

4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 3159987) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID3159987
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(c2nc3ccccc3[nH]2)CC1=O
InChIInChI=1S/C19H19N3O/c1-2-13-7-3-6-10-17(13)22-12-14(11-18(22)23)19-20-15-8-4-5-9-16(15)21-19/h3-10,14H,2,11-12H2,1H3,(H,20,21)
InChIKeyPEAGCENQDLIFPK-UHFFFAOYSA-N
XLogP3.65
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
(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-(6-methyl-1H-benzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4697741
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
(4S)-4-(1H-benzimidazol-2-yl)-1-(cyclopropylmethyl)pyrrolidin-2-one
CID 40713858
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
4-(1H-benzimidazol-2-yl)-1-(2-phenylethyl)pyrrolidin-2-one
CID 6460887
(4S)-4-(1H-benzimidazol-2-yl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 40712600
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one (CID 3159987) is 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1N1CC(c2nc3ccccc3[nH]2)CC1=O.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is PEAGCENQDLIFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-13-7-3-6-10-17(13)22-12-14(11-18(22)23)19-20-15-8-4-5-9-16(15)21-19/h3-10,14H,2,11-12H2,1H3,(H,20,21).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one?
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 3159987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).