1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole

C24H31N3O — CID 18885587

IUPAC1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
SMILESCc1ccc(OCCCn2c(CCCN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C24H31N3O/c1-20-11-13-21(14-12-20)28-19-7-18-27-23-9-3-2-8-22(23)25-24(27)10-6-17-26-15-4-5-16-26/h2-3,8-9,11-14H,4-7,10,15-19H2,1H3
InChIKeyDOPMFLZKCCTXSC-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.84
Rot. Bonds9

About 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole

1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole (PubChem CID 18885587) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
PubChem CID18885587
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
SMILESCc1ccc(OCCCn2c(CCCN3CCCC3)nc3ccccc32)cc1
InChIInChI=1S/C24H31N3O/c1-20-11-13-21(14-12-20)28-19-7-18-27-23-9-3-2-8-22(23)25-24(27)10-6-17-26-15-4-5-16-26/h2-3,8-9,11-14H,4-7,10,15-19H2,1H3
InChIKeyDOPMFLZKCCTXSC-UHFFFAOYSA-N
XLogP4.84
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(azepan-1-yl)propyl]-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18885688
2-[3-(azepan-1-yl)propyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 18885665
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole
CID 18885573
2-[3-(azepan-1-yl)propyl]-1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazole
CID 18885663
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propan-1-ol
CID 648297
2-[3-(azepan-1-yl)propyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18885649
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
2-[3-(azepan-1-yl)propyl]-1-[4-(2-chlorophenoxy)butyl]benzimidazole
CID 18885679
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole?
The IUPAC name of 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole (CID 18885587) is 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole.
What is the SMILES notation for 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole?
The canonical SMILES for 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole is Cc1ccc(OCCCn2c(CCCN3CCCC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole?
The InChIKey is DOPMFLZKCCTXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-20-11-13-21(14-12-20)28-19-7-18-27-23-9-3-2-8-22(23)25-24(27)10-6-17-26-15-4-5-16-26/h2-3,8-9,11-14H,4-7,10,15-19H2,1H3.
What are the key properties of 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole?
1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole has a molecular weight of 377.53 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)propyl]-2-(3-pyrrolidin-1-ylpropyl)benzimidazole is sourced from PubChem (CID 18885587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).