(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

C26H24ClN3O2 — CID 40813563

IUPAC(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1
InChIInChI=1S/C26H24ClN3O2/c1-18-9-11-22(12-10-18)32-14-13-29-24-8-3-2-7-23(24)28-26(29)19-15-25(31)30(17-19)21-6-4-5-20(27)16-21/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
InChIKeyCOOQTCIDCIBKDG-LJQANCHMSA-N
MW445.95 g/mol
LogP5.60
Rot. Bonds6

About (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one

(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 40813563) has the molecular formula C26H24ClN3O2 and a molecular weight of 445.95 g/mol. Its IUPAC name is (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID40813563
Molecular FormulaC26H24ClN3O2
Molecular Weight445.95 g/mol
Exact Mass445.16
IUPAC Name(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1
InChIInChI=1S/C26H24ClN3O2/c1-18-9-11-22(12-10-18)32-14-13-29-24-8-3-2-7-23(24)28-26(29)19-15-25(31)30(17-19)21-6-4-5-20(27)16-21/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
InChIKeyCOOQTCIDCIBKDG-LJQANCHMSA-N
XLogP5.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.95
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813543
(4R)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-phenylpyrrolidin-2-one
CID 40725103
(4S)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 7011289
(4R)-4-[1-[2-[4-[(2S)-butan-2-yl]phenoxy]ethyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 40852381
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813546
(4R)-1-(4-chlorophenyl)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40814069
1-(4-ethoxyphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 4754486
1-(2,6-dimethylphenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003176
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 35179890
(4S)-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 40812310
(4S)-1-(3-chlorophenyl)-4-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813551
4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 18889198

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 40813563) is (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1.
What is the InChIKey of (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is COOQTCIDCIBKDG-LJQANCHMSA-N. The full InChI is InChI=1S/C26H24ClN3O2/c1-18-9-11-22(12-10-18)32-14-13-29-24-8-3-2-7-23(24)28-26(29)19-15-25(31)30(17-19)21-6-4-5-20(27)16-21/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 445.95 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 40813563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).