4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one

C27H24ClN3O2 — CID 17003641

IUPAC4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C27H24ClN3O2/c1-2-18-7-3-5-9-23(18)30-16-20(15-26(30)33)27-29-22-8-4-6-10-24(22)31(27)17-25(32)19-11-13-21(28)14-12-19/h3-14,20H,2,15-17H2,1H3
InChIKeyDWDCIBGWGQHXSP-UHFFFAOYSA-N
MW457.96 g/mol
LogP5.66
Rot. Bonds6

About 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one

4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 17003641) has the molecular formula C27H24ClN3O2 and a molecular weight of 457.96 g/mol. Its IUPAC name is 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID17003641
Molecular FormulaC27H24ClN3O2
Molecular Weight457.96 g/mol
Exact Mass457.16
IUPAC Name4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1CC(c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C27H24ClN3O2/c1-2-18-7-3-5-9-23(18)30-16-20(15-26(30)33)27-29-22-8-4-6-10-24(22)31(27)17-25(32)19-11-13-21(28)14-12-19/h3-14,20H,2,15-17H2,1H3
InChIKeyDWDCIBGWGQHXSP-UHFFFAOYSA-N
XLogP5.66
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.96
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18888776
(4R)-4-(1-butylbenzimidazol-2-yl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 40692501
(4S)-1-(2-ethylphenyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40698808
1-(2,5-dimethylphenyl)-4-(1-phenacylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003107
1-(2-ethylphenyl)-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride
CID 90485860
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 3737057
1-(4-chlorophenyl)-4-(1-octadecylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889038
1-(4-chlorophenyl)-4-(1-nonylbenzimidazol-2-yl)pyrrolidin-2-one
CID 18889044
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
4-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]-1-(2-chlorophenyl)pyrrolidin-2-one
CID 18889307
(4R)-4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 7011738
4-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 17004584

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one (CID 17003641) is 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1N1CC(c2nc3ccccc3n2CC(=O)c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is DWDCIBGWGQHXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O2/c1-2-18-7-3-5-9-23(18)30-16-20(15-26(30)33)27-29-22-8-4-6-10-24(22)31(27)17-25(32)19-11-13-21(28)14-12-19/h3-14,20H,2,15-17H2,1H3.
What are the key properties of 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one?
4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 457.96 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 17003641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).