1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine

C21H26N4 — CID 167962451

IUPAC1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCNC1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H26N4/c1-16(23-14-17-5-4-12-22-13-17)18-8-10-19(11-9-18)25-15-24-20-6-2-3-7-21(20)25/h2-3,6-11,15-17,22-23H,4-5,12-14H2,1H3
InChIKeyNXPLQLWYSXDQTL-UHFFFAOYSA-N
MW334.47 g/mol
LogP3.68
Rot. Bonds5

About 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine

1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 167962451) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID167962451
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCC(NCC1CCCNC1)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C21H26N4/c1-16(23-14-17-5-4-12-22-13-17)18-8-10-19(11-9-18)25-15-24-20-6-2-3-7-21(20)25/h2-3,6-11,15-17,22-23H,4-5,12-14H2,1H3
InChIKeyNXPLQLWYSXDQTL-UHFFFAOYSA-N
XLogP3.68
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)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

(1S,2S,4R)-2-amino-4-[[1-[4-(benzimidazol-1-yl)phenyl]ethylamino]methyl]cyclopentan-1-ol
CID 167856292
(1R)-1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 81349439
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
N-(piperidin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 80554145
N-(piperidin-3-ylmethyl)-1-thiophen-2-ylethanamine;hydrochloride
CID 71637837
1-[6-(piperidin-3-ylmethyl)pyrimidin-4-yl]benzimidazole
CID 110097000
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
(1S)-1-pyridin-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 97162329
4-(benzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120555950
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
CID 80553252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 167962451) is 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine is CC(NCC1CCCNC1)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is NXPLQLWYSXDQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-16(23-14-17-5-4-12-22-13-17)18-8-10-19(11-9-18)25-15-24-20-6-2-3-7-21(20)25/h2-3,6-11,15-17,22-23H,4-5,12-14H2,1H3.
What are the key properties of 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine?
1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 334.47 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)phenyl]-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 167962451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).