1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine

C18H27N3 — CID 79870182

IUPAC1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1C1CCCCC1(C)C
InChIInChI=1S/C18H27N3/c1-12(2)17-20-14-11-13(19)8-9-15(14)21(17)16-7-5-6-10-18(16,3)4/h8-9,11-12,16H,5-7,10,19H2,1-4H3
InChIKeyOFFZMMJREIVESM-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.88
Rot. Bonds2

About 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine

1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 79870182) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
PubChem CID79870182
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
SMILESCC(C)c1nc2cc(N)ccc2n1C1CCCCC1(C)C
InChIInChI=1S/C18H27N3/c1-12(2)17-20-14-11-13(19)8-9-15(14)21(17)16-7-5-6-10-18(16,3)4/h8-9,11-12,16H,5-7,10,19H2,1-4H3
InChIKeyOFFZMMJREIVESM-UHFFFAOYSA-N
XLogP4.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine (CID 79870182) is 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine is CC(C)c1nc2cc(N)ccc2n1C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is OFFZMMJREIVESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12(2)17-20-14-11-13(19)8-9-15(14)21(17)16-7-5-6-10-18(16,3)4/h8-9,11-12,16H,5-7,10,19H2,1-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine?
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 79870182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).