2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole

C24H31N3 — CID 18928700

IUPAC2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole
SMILESCc1nc2ccccc2n1CCC1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C24H31N3/c1-20-25-23-11-5-6-12-24(23)27(20)19-15-22-13-17-26(18-14-22)16-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3
InChIKeyNWXJHPNWMFOOMD-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.08
Rot. Bonds7

About 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole

2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole (PubChem CID 18928700) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole
PubChem CID18928700
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC Name2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole
SMILESCc1nc2ccccc2n1CCC1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C24H31N3/c1-20-25-23-11-5-6-12-24(23)27(20)19-15-22-13-17-26(18-14-22)16-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3
InChIKeyNWXJHPNWMFOOMD-UHFFFAOYSA-N
XLogP5.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]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

4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
4-(chloromethyl)-1-(3-phenylpropyl)piperidine
CID 55183322
1-benzyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrrolidin-3-amine
CID 113222196
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-benzyl-2-[3-(4-methylpiperazin-1-yl)propyl]benzimidazole
CID 90040298
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
3-(bromomethyl)-1-(3-phenylpropyl)pyrrolidine
CID 80691457
[1-(4-phenylbutyl)piperidin-4-yl]methanamine
CID 69419059
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole?
The IUPAC name of 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole (CID 18928700) is 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole is Cc1nc2ccccc2n1CCC1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole?
The InChIKey is NWXJHPNWMFOOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-20-25-23-11-5-6-12-24(23)27(20)19-15-22-13-17-26(18-14-22)16-7-10-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3.
What are the key properties of 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole?
2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole has a molecular weight of 361.53 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[1-(3-phenylpropyl)piperidin-4-yl]ethyl]benzimidazole is sourced from PubChem (CID 18928700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).