2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole

C17H25N3 — CID 6491176

IUPAC2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(CN2CCC(C)CC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-10-20-16-7-5-4-6-15(16)18-17(20)13-19-11-8-14(2)9-12-19/h4-7,14H,3,8-13H2,1-2H3
InChIKeyODLRBDPCKJOSDM-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.68
Rot. Bonds4

About 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole

2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole (PubChem CID 6491176) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole.

Molecular Properties

Compound Name2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
PubChem CID6491176
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole
SMILESCCCn1c(CN2CCC(C)CC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-3-10-20-16-7-5-4-6-15(16)18-17(20)13-19-11-8-14(2)9-12-19/h4-7,14H,3,8-13H2,1-2H3
InChIKeyODLRBDPCKJOSDM-UHFFFAOYSA-N
XLogP3.68
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole 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-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
1-[(1-propylbenzimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 79753236
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
1-(difluoromethyl)-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 134000947
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 114544004
2-[[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-1-propylbenzimidazole
CID 95792196
2-[2-[(3,5-dimethylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanamine
CID 82310578
1-[(4-fluorophenyl)methyl]-2-[(4-propylpiperazin-1-yl)methyl]benzimidazole
CID 54195084
2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
CID 82311641

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole?
The IUPAC name of 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole (CID 6491176) is 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole.
What is the SMILES notation for 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole?
The canonical SMILES for 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole is CCCn1c(CN2CCC(C)CC2)nc2ccccc21.
What is the InChIKey of 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole?
The InChIKey is ODLRBDPCKJOSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-10-20-16-7-5-4-6-15(16)18-17(20)13-19-11-8-14(2)9-12-19/h4-7,14H,3,8-13H2,1-2H3.
What are the key properties of 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole?
2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole has a molecular weight of 271.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperidin-1-yl)methyl]-1-propylbenzimidazole is sourced from PubChem (CID 6491176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).