N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine

C23H30N4 — CID 45251588

IUPACN-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C23H30N4/c1-25(16-14-19-9-4-3-5-10-19)20-11-8-15-27(17-20)18-23-24-21-12-6-7-13-22(21)26(23)2/h3-7,9-10,12-13,20H,8,11,14-18H2,1-2H3
InChIKeyJTSNHBSUZZFHMH-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine

N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine (PubChem CID 45251588) has the molecular formula C23H30N4 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
PubChem CID45251588
Molecular FormulaC23H30N4
Molecular Weight362.52 g/mol
Exact Mass362.25
IUPAC NameN-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine
SMILESCN(CCc1ccccc1)C1CCCN(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C23H30N4/c1-25(16-14-19-9-4-3-5-10-19)20-11-8-15-27(17-20)18-23-24-21-12-6-7-13-22(21)26(23)2/h3-7,9-10,12-13,20H,8,11,14-18H2,1-2H3
InChIKeyJTSNHBSUZZFHMH-UHFFFAOYSA-N
XLogP3.71
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine (CID 45251588) is N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine is CN(CCc1ccccc1)C1CCCN(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
The InChIKey is JTSNHBSUZZFHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4/c1-25(16-14-19-9-4-3-5-10-19)20-11-8-15-27(17-20)18-23-24-21-12-6-7-13-22(21)26(23)2/h3-7,9-10,12-13,20H,8,11,14-18H2,1-2H3.
What are the key properties of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine?
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine has a molecular weight of 362.52 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 45251588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).