1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C30H27N3O3 — CID 17003947

IUPAC1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)c1
InChIInChI=1S/C30H27N3O3/c1-35-24-11-7-10-23(19-24)33-20-22(18-29(33)34)30-31-26-13-4-5-14-27(26)32(30)16-17-36-28-15-6-9-21-8-2-3-12-25(21)28/h2-15,19,22H,16-18,20H2,1H3
InChIKeyCZUFYKWHQDQQIT-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.80
Rot. Bonds7

About 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17003947) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17003947
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1cccc(N2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)c1
InChIInChI=1S/C30H27N3O3/c1-35-24-11-7-10-23(19-24)33-20-22(18-29(33)34)30-31-26-13-4-5-14-27(26)32(30)16-17-36-28-15-6-9-21-8-2-3-12-25(21)28/h2-15,19,22H,16-18,20H2,1H3
InChIKeyCZUFYKWHQDQQIT-UHFFFAOYSA-N
XLogP5.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17004218
4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 17002555
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
4-[1-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 17003941
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964789
1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964951
1-(3-methoxyphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3759471
1-(3-fluorophenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 19242518
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813546
(4R)-1-(2,5-dimethoxyphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814702
1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889144
1-(3-methoxyphenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 5188387

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17003947) is 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is COc1cccc(N2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is CZUFYKWHQDQQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-35-24-11-7-10-23(19-24)33-20-22(18-29(33)34)30-31-26-13-4-5-14-27(26)32(30)16-17-36-28-15-6-9-21-8-2-3-12-25(21)28/h2-15,19,22H,16-18,20H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 477.56 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17003947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).