4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride

C13H19Cl2N3 — CID 171992049

IUPAC4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C13H17N3.2ClH/c14-10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16;;/h1-4,9-11H,5-8,14H2;2*1H
InChIKeyZBFPWLYFWGYNOO-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.32
Rot. Bonds1

About 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride

4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride (PubChem CID 171992049) has the molecular formula C13H19Cl2N3 and a molecular weight of 288.22 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
PubChem CID171992049
Molecular FormulaC13H19Cl2N3
Molecular Weight288.22 g/mol
Exact Mass287.10
IUPAC Name4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(n2cnc3ccccc32)CC1
InChIInChI=1S/C13H17N3.2ClH/c14-10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16;;/h1-4,9-11H,5-8,14H2;2*1H
InChIKeyZBFPWLYFWGYNOO-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
3-(4-aminocyclohexyl)-5-chloroquinazolin-4-one;hydrochloride
CID 154910405
1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
CID 141346102
N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
CID 121317709
3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048
6-(benzimidazol-1-yl)-2,2-dimethylcyclohexan-1-amine
CID 79828393
6-(benzimidazol-1-yl)cyclohept-2-en-1-one
CID 101434263
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
6-(benzimidazol-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783124
3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314238

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride?
The IUPAC name of 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride (CID 171992049) is 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride is Cl.Cl.NC1CCC(n2cnc3ccccc32)CC1.
What is the InChIKey of 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride?
The InChIKey is ZBFPWLYFWGYNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.2ClH/c14-10-5-7-11(8-6-10)16-9-15-12-3-1-2-4-13(12)16;;/h1-4,9-11H,5-8,14H2;2*1H.
What are the key properties of 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride?
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride has a molecular weight of 288.22 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 171992049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).