2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine

C15H21N3 — CID 3373556

IUPAC2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,18)
InChIKeyPHTPQUYYNBOYPH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine

2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine (PubChem CID 3373556) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
PubChem CID3373556
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(CCC3CCCCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,18)
InChIKeyPHTPQUYYNBOYPH-UHFFFAOYSA-N
XLogP3.66
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(2-cyclopentylethyl)-1H-benzimidazole
CID 64723733
2-[2-[cyclohexylmethyl(methyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 61443744
2-(2-cyclopentylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456132
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-[2-[cyclobutylmethyl(ethyl)amino]ethyl]-3H-benzimidazol-5-amine
CID 107397319
2-(2-cyclopentylethyl)-3H-imidazo[4,5-c]pyridine
CID 63268959
2-[2-(2-cyclobutylethyl)-3H-benzimidazol-5-yl]-2-methylpropan-1-ol
CID 123183678
2-butyl-3H-benzimidazol-5-amine
CID 23301932
3-(6-amino-1H-benzimidazol-2-yl)propan-1-ol
CID 3096134
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-(6-cyclohexylhexyl)-1H-benzimidazole
CID 141189799
1-[2-(6-amino-1H-benzimidazol-2-yl)ethyl]piperidin-3-ol
CID 43575336

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine (CID 3373556) is 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine is Nc1ccc2nc(CCC3CCCCC3)[nH]c2c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
The InChIKey is PHTPQUYYNBOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c16-12-7-8-13-14(10-12)18-15(17-13)9-6-11-4-2-1-3-5-11/h7-8,10-11H,1-6,9,16H2,(H,17,18).
What are the key properties of 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine?
2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylethyl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 3373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).