1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one

C25H29N3O2 — CID 16965117

IUPAC1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCCCn2c(C3CC(=O)N(C4CC4)C3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H29N3O2/c1-17-8-11-23(18(2)14-17)30-13-5-12-27-22-7-4-3-6-21(22)26-25(27)19-15-24(29)28(16-19)20-9-10-20/h3-4,6-8,11,14,19-20H,5,9-10,12-13,15-16H2,1-2H3
InChIKeyKEFZZSXMJNMTAX-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.60
Rot. Bonds7

About 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one

1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one (PubChem CID 16965117) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
PubChem CID16965117
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCCCn2c(C3CC(=O)N(C4CC4)C3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H29N3O2/c1-17-8-11-23(18(2)14-17)30-13-5-12-27-22-7-4-3-6-21(22)26-25(27)19-15-24(29)28(16-19)20-9-10-20/h3-4,6-8,11,14,19-20H,5,9-10,12-13,15-16H2,1-2H3
InChIKeyKEFZZSXMJNMTAX-UHFFFAOYSA-N
XLogP4.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.60
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

1-cyclopentyl-4-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965308
1-cyclopentyl-4-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965277
4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 18889384
1-cyclopentyl-4-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965306
(4S)-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(4-fluorophenyl)pyrrolidin-2-one
CID 40814857
1-cyclohexyl-4-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005351
1-cyclopentyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16965295
4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]-1-(4-ethylphenyl)pyrrolidin-2-one
CID 17004866
(4R)-1-(3-chlorophenyl)-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40775488
4-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17004073
1-cyclohexyl-4-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005363
1-cyclohexyl-4-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005379

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one (CID 16965117) is 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one is Cc1ccc(OCCCn2c(C3CC(=O)N(C4CC4)C3)nc3ccccc32)c(C)c1.
What is the InChIKey of 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one?
The InChIKey is KEFZZSXMJNMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17-8-11-23(18(2)14-17)30-13-5-12-27-22-7-4-3-6-21(22)26-25(27)19-15-24(29)28(16-19)20-9-10-20/h3-4,6-8,11,14,19-20H,5,9-10,12-13,15-16H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one?
1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one has a molecular weight of 403.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 16965117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).