N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

C26H36N4 — CID 42462769

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCN(Cc1nc2ccccc2n1C)CC1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C26H36N4/c1-4-29(20-26-27-24-11-7-8-12-25(24)28(26)3)19-22-13-16-30(17-14-22)18-15-23-10-6-5-9-21(23)2/h5-12,22H,4,13-20H2,1-3H3
InChIKeyHIRNLRJGCZVZRJ-UHFFFAOYSA-N
MW404.60 g/mol
LogP4.66
Rot. Bonds8

About N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 42462769) has the molecular formula C26H36N4 and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
PubChem CID42462769
Molecular FormulaC26H36N4
Molecular Weight404.60 g/mol
Exact Mass404.29
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCN(Cc1nc2ccccc2n1C)CC1CCN(CCc2ccccc2C)CC1
InChIInChI=1S/C26H36N4/c1-4-29(20-26-27-24-11-7-8-12-25(24)28(26)3)19-22-13-16-30(17-14-22)18-15-23-10-6-5-9-21(23)2/h5-12,22H,4,13-20H2,1-3H3
InChIKeyHIRNLRJGCZVZRJ-UHFFFAOYSA-N
XLogP4.66
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine 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

N-(1H-benzimidazol-2-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42519849
4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 42566598
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 56701591
N-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42520717
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26400256
N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26331444
N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
CID 25379756
1-[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 31018719
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (CID 42462769) is N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is CCN(Cc1nc2ccccc2n1C)CC1CCN(CCc2ccccc2C)CC1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is HIRNLRJGCZVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4/c1-4-29(20-26-27-24-11-7-8-12-25(24)28(26)3)19-22-13-16-30(17-14-22)18-15-23-10-6-5-9-21(23)2/h5-12,22H,4,13-20H2,1-3H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 404.60 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 42462769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).