(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

C27H26ClN3O3 — CID 40813615

IUPAC(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cc(Cl)ccc4C)C3)nc3ccccc32)cc1
InChIInChI=1S/C27H26ClN3O3/c1-18-7-8-20(28)16-25(18)31-17-19(15-26(31)32)27-29-23-5-3-4-6-24(23)30(27)13-14-34-22-11-9-21(33-2)10-12-22/h3-12,16,19H,13-15,17H2,1-2H3/t19-/m1/s1
InChIKeyBQAXFZCHJQOMHZ-LJQANCHMSA-N
MW475.98 g/mol
LogP5.61
Rot. Bonds7

About (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40813615) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40813615
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cc(Cl)ccc4C)C3)nc3ccccc32)cc1
InChIInChI=1S/C27H26ClN3O3/c1-18-7-8-20(28)16-25(18)31-17-19(15-26(31)32)27-29-23-5-3-4-6-24(23)30(27)13-14-34-22-11-9-21(33-2)10-12-22/h3-12,16,19H,13-15,17H2,1-2H3/t19-/m1/s1
InChIKeyBQAXFZCHJQOMHZ-LJQANCHMSA-N
XLogP5.61
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.98
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 40812275
(4S)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35177303
1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17027757
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 42387082
(4R)-1-(5-chloro-2-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136807
1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17027750
(4R)-1-(5-chloro-2-methoxyphenyl)-4-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 35177293
(4R)-1-(3,5-dimethylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814672
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 4038407
(4S)-4-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40852493
1-(2,5-dimethoxyphenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754289
(4S)-1-(5-chloro-2-methoxyphenyl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40698871

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40813615) is (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is COc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cc(Cl)ccc4C)C3)nc3ccccc32)cc1.
What is the InChIKey of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is BQAXFZCHJQOMHZ-LJQANCHMSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c1-18-7-8-20(28)16-25(18)31-17-19(15-26(31)32)27-29-23-5-3-4-6-24(23)30(27)13-14-34-22-11-9-21(33-2)10-12-22/h3-12,16,19H,13-15,17H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 475.98 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(5-chloro-2-methylphenyl)-4-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40813615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).