4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one

C28H27Cl2N3O2 — CID 18889198

IUPAC4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
SMILESCc1cc(OCCCCn2c(C3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C28H27Cl2N3O2/c1-19-15-23(11-12-24(19)30)35-14-5-4-13-32-26-10-3-2-9-25(26)31-28(32)20-16-27(34)33(18-20)22-8-6-7-21(29)17-22/h2-3,6-12,15,17,20H,4-5,13-14,16,18H2,1H3
InChIKeyQNMGDCXMUQZUTQ-UHFFFAOYSA-N
MW508.45 g/mol
LogP7.03
Rot. Bonds8

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

4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one (PubChem CID 18889198) has the molecular formula C28H27Cl2N3O2 and a molecular weight of 508.45 g/mol. Its IUPAC name is 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
PubChem CID18889198
Molecular FormulaC28H27Cl2N3O2
Molecular Weight508.45 g/mol
Exact Mass507.15
IUPAC Name4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one
SMILESCc1cc(OCCCCn2c(C3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)ccc1Cl
InChIInChI=1S/C28H27Cl2N3O2/c1-19-15-23(11-12-24(19)30)35-14-5-4-13-32-26-10-3-2-9-25(26)31-28(32)20-16-27(34)33(18-20)22-8-6-7-21(29)17-22/h2-3,6-12,15,17,20H,4-5,13-14,16,18H2,1H3
InChIKeyQNMGDCXMUQZUTQ-UHFFFAOYSA-N
XLogP7.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.45
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 16964836
1-(3-chlorophenyl)-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889184
(4S)-1-(3-chlorophenyl)-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 92669606
4-[1-[3-(4-chloro-3-methylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethoxyphenyl)pyrrolidin-2-one
CID 18878740
(4R)-1-(3-chlorophenyl)-4-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813563
(4R)-1-(3-chlorophenyl)-4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813580
(4R)-1-(3-chlorophenyl)-4-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40813538
4-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]-1-(4-chlorophenyl)pyrrolidin-2-one
CID 18889097
(4R)-1-(3-chlorophenyl)-4-[1-(2-phenoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40813543
1-(2-chlorophenyl)-4-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17003547
(4R)-1-(3-chlorophenyl)-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775488
(4R)-1-(3-chlorophenyl)-4-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40852332

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one (CID 18889198) is 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one is Cc1cc(OCCCCn2c(C3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)ccc1Cl.
What is the InChIKey of 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one?
The InChIKey is QNMGDCXMUQZUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O2/c1-19-15-23(11-12-24(19)30)35-14-5-4-13-32-26-10-3-2-9-25(26)31-28(32)20-16-27(34)33(18-20)22-8-6-7-21(29)17-22/h2-3,6-12,15,17,20H,4-5,13-14,16,18H2,1H3.
What are the key properties of 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one?
4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one has a molecular weight of 508.45 g/mol, XLogP of 7.03, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]-1-(3-chlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 18889198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).