1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C21H22ClN3O2 — CID 4754335

IUPAC1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c(C2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O2/c1-3-10-24-18-7-5-4-6-17(18)23-21(24)14-11-20(26)25(13-14)19-12-15(27-2)8-9-16(19)22/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKeyOPKXUBBFFSMCNQ-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.63
Rot. Bonds5

About 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 4754335) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID4754335
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c(C2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21
InChIInChI=1S/C21H22ClN3O2/c1-3-10-24-18-7-5-4-6-17(18)23-21(24)14-11-20(26)25(13-14)19-12-15(27-2)8-9-16(19)22/h4-9,12,14H,3,10-11,13H2,1-2H3
InChIKeyOPKXUBBFFSMCNQ-UHFFFAOYSA-N
XLogP4.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(2-chloro-5-methoxyphenyl)-4-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40871186
1-(2,5-dimethoxyphenyl)-4-(1-pentylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003806
4-(1-decylbenzimidazol-2-yl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 17003811
1-(2,5-dimethoxyphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17003802
(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
(4R)-1-(2,5-dimethoxyphenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814702
(4S)-1-naphthalen-1-yl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 1034388
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
1-(2,5-dimethoxyphenyl)-4-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754280
1-(2-ethylphenyl)-4-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one;hydrochloride
CID 16957201
1-(2,5-dimethoxyphenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003877

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 4754335) is 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c(C2CC(=O)N(c3cc(OC)ccc3Cl)C2)nc2ccccc21.
What is the InChIKey of 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is OPKXUBBFFSMCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-3-10-24-18-7-5-4-6-17(18)23-21(24)14-11-20(26)25(13-14)19-12-15(27-2)8-9-16(19)22/h4-9,12,14H,3,10-11,13H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 383.88 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methoxyphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 4754335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).