1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

C31H29N3O2 — CID 17004218

IUPAC1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)c1
InChIInChI=1S/C31H29N3O2/c1-21-16-22(2)18-25(17-21)34-20-24(19-30(34)35)31-32-27-11-5-6-12-28(27)33(31)14-15-36-29-13-7-9-23-8-3-4-10-26(23)29/h3-13,16-18,24H,14-15,19-20H2,1-2H3
InChIKeyXXGGOGFBMBCKLK-UHFFFAOYSA-N
MW475.59 g/mol
LogP6.41
Rot. Bonds6

About 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one

1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 17004218) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID17004218
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC Name1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1cc(C)cc(N2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)c1
InChIInChI=1S/C31H29N3O2/c1-21-16-22(2)18-25(17-21)34-20-24(19-30(34)35)31-32-27-11-5-6-12-28(27)33(31)14-15-36-29-13-7-9-23-8-3-4-10-26(23)29/h3-13,16-18,24H,14-15,19-20H2,1-2H3
InChIKeyXXGGOGFBMBCKLK-UHFFFAOYSA-N
XLogP6.41
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 17003947
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964789
(4R)-1-(3,5-dimethylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814672
4-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 17004230
1-(4-fluorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889144
1-(1,3-benzodioxol-5-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964951
(4S)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538413
(4R)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7538411
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 35179890
1-(4-chlorophenyl)-4-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 18889085
(4R)-1-(2,6-dimethylphenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42108740
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813546

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one (CID 17004218) is 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is Cc1cc(C)cc(N2CC(c3nc4ccccc4n3CCOc3cccc4ccccc34)CC2=O)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is XXGGOGFBMBCKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-21-16-22(2)18-25(17-21)34-20-24(19-30(34)35)31-32-27-11-5-6-12-28(27)33(31)14-15-36-29-13-7-9-23-8-3-4-10-26(23)29/h3-13,16-18,24H,14-15,19-20H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one?
1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 475.59 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 17004218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).