4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one

C18H17N3O2 — CID 3806388

IUPAC4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c1
InChIInChI=1S/C18H17N3O2/c1-23-14-6-4-5-13(10-14)21-11-12(9-17(21)22)18-19-15-7-2-3-8-16(15)20-18/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyLNMWKBHPTJLGRD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.09
Rot. Bonds3

About 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one

4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 3806388) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID3806388
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c1
InChIInChI=1S/C18H17N3O2/c1-23-14-6-4-5-13(10-14)21-11-12(9-17(21)22)18-19-15-7-2-3-8-16(15)20-18/h2-8,10,12H,9,11H2,1H3,(H,19,20)
InChIKeyLNMWKBHPTJLGRD-UHFFFAOYSA-N
XLogP3.09
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697740
(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
(3S)-N-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42536564
(4S)-4-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)pyrrolidin-2-one
CID 7080465
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 2952741
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
4-(1H-benzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 3159987
(4R)-4-(1H-benzimidazol-2-yl)-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 40500355
(4R)-1-(3-methoxyphenyl)-4-(1-propan-2-ylbenzimidazol-2-yl)pyrrolidin-2-one
CID 933954
1-(3-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 169218000
3-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)azetidine-1-carboxamide
CID 90505815

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 3806388) is 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is LNMWKBHPTJLGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-14-6-4-5-13(10-14)21-11-12(9-17(21)22)18-19-15-7-2-3-8-16(15)20-18/h2-8,10,12H,9,11H2,1H3,(H,19,20).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one?
4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 307.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 3806388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).