N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine

C17H25N3 — CID 28660029

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCCn2cnc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c1-14-7-9-15(10-8-14)18-11-4-12-20-13-19-16-5-2-3-6-17(16)20/h2-3,5-6,13-15,18H,4,7-12H2,1H3
InChIKeyKFCMMQHDVBWBNK-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.59
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine

N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine (PubChem CID 28660029) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
PubChem CID28660029
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCCn2cnc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c1-14-7-9-15(10-8-14)18-11-4-12-20-13-19-16-5-2-3-6-17(16)20/h2-3,5-6,13-15,18H,4,7-12H2,1H3
InChIKeyKFCMMQHDVBWBNK-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine 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-[3-(benzimidazol-1-yl)propyl]oxan-4-amine
CID 43608514
N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
CID 80693050
N-[3-(benzimidazol-1-yl)propyl]thian-3-amine
CID 62872143
N-[3-(benzimidazol-1-yl)propyl]-2-methyloxolan-3-amine
CID 115335614
N-[3-(benzimidazol-1-yl)propyl]-1,1-dioxothiolan-3-amine
CID 60708513
N-[3-(benzimidazol-1-yl)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111211637
N-[3-(benzimidazol-1-yl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43121675
bis(1-butylbenzimidazole);ethane
CID 142164287
1-[3-(cyclopropylamino)propyl]quinoxalin-2-one
CID 61387611
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 60721061
3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800
N'-[3-(benzimidazol-1-yl)propyl]-N-ethyl-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111209996

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine (CID 28660029) is N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine is CC1CCC(NCCCn2cnc3ccccc32)CC1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine?
The InChIKey is KFCMMQHDVBWBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-7-9-15(10-8-14)18-11-4-12-20-13-19-16-5-2-3-6-17(16)20/h2-3,5-6,13-15,18H,4,7-12H2,1H3.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine?
N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 28660029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).