5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine

C15H21N3 — CID 43662068

IUPAC5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C1CCCC(C)C1
InChIInChI=1S/C15H21N3/c1-10-4-3-5-12(8-10)18-14-7-6-11(2)9-13(14)17-15(18)16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,16,17)
InChIKeyIDNRTHJRTDGLLS-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds1

About 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine

5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine (PubChem CID 43662068) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine
PubChem CID43662068
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc(N)n2C1CCCC(C)C1
InChIInChI=1S/C15H21N3/c1-10-4-3-5-12(8-10)18-14-7-6-11(2)9-13(14)17-15(18)16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,16,17)
InChIKeyIDNRTHJRTDGLLS-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine?
The IUPAC name of 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine (CID 43662068) is 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine.
What is the SMILES notation for 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine?
The canonical SMILES for 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine is Cc1ccc2c(c1)nc(N)n2C1CCCC(C)C1.
What is the InChIKey of 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine?
The InChIKey is IDNRTHJRTDGLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-4-3-5-12(8-10)18-14-7-6-11(2)9-13(14)17-15(18)16/h6-7,9-10,12H,3-5,8H2,1-2H3,(H2,16,17).
What are the key properties of 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine?
5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine has a molecular weight of 243.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylcyclohexyl)benzimidazol-2-amine is sourced from PubChem (CID 43662068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).