2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine

C17H23N3 — CID 82067737

IUPAC2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
SMILESC=C(C)Cn1c(C2CCCCC2)nc2c(N)cccc21
InChIInChI=1S/C17H23N3/c1-12(2)11-20-15-10-6-9-14(18)16(15)19-17(20)13-7-4-3-5-8-13/h6,9-10,13H,1,3-5,7-8,11,18H2,2H3
InChIKeyFHXXRKMGFLKXPJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.24
Rot. Bonds3

About 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine

2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine (PubChem CID 82067737) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
PubChem CID82067737
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
SMILESC=C(C)Cn1c(C2CCCCC2)nc2c(N)cccc21
InChIInChI=1S/C17H23N3/c1-12(2)11-20-15-10-6-9-14(18)16(15)19-17(20)13-7-4-3-5-8-13/h6,9-10,13H,1,3-5,7-8,11,18H2,2H3
InChIKeyFHXXRKMGFLKXPJ-UHFFFAOYSA-N
XLogP4.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
CID 82067653
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
1-(2-methylprop-2-enyl)-2-pyridin-3-ylbenzimidazol-4-amine
CID 82068147
(2-cycloheptyl-1-methylbenzimidazol-4-yl)methanamine
CID 104721457
2-(2-cyclohexylethyl)-1-(methoxymethyl)benzimidazol-4-amine
CID 82068290
4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
CID 171064678
7-amino-3-(2-methylprop-2-enyl)-1,3-benzoxazol-2-one
CID 28802580
cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate
CID 82068240

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine?
The IUPAC name of 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine (CID 82067737) is 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine.
What is the SMILES notation for 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine?
The canonical SMILES for 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine is C=C(C)Cn1c(C2CCCCC2)nc2c(N)cccc21.
What is the InChIKey of 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine?
The InChIKey is FHXXRKMGFLKXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)11-20-15-10-6-9-14(18)16(15)19-17(20)13-7-4-3-5-8-13/h6,9-10,13H,1,3-5,7-8,11,18H2,2H3.
What are the key properties of 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine?
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine is sourced from PubChem (CID 82067737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).