1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine

C16H23N3 — CID 115552524

IUPAC1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCC(C)CC3C)c12
InChIInChI=1S/C16H23N3/c1-10-7-8-14(12(3)9-10)19-15-11(2)5-4-6-13(15)18-16(19)17/h4-6,10,12,14H,7-9H2,1-3H3,(H2,17,18)
InChIKeyPZBRICAGDKIZID-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.92
Rot. Bonds1

About 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine

1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552524) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
PubChem CID115552524
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(C3CCC(C)CC3C)c12
InChIInChI=1S/C16H23N3/c1-10-7-8-14(12(3)9-10)19-15-11(2)5-4-6-13(15)18-16(19)17/h4-6,10,12,14H,7-9H2,1-3H3,(H2,17,18)
InChIKeyPZBRICAGDKIZID-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine (CID 115552524) is 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(C3CCC(C)CC3C)c12.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
The InChIKey is PZBRICAGDKIZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-7-8-14(12(3)9-10)19-15-11(2)5-4-6-13(15)18-16(19)17/h4-6,10,12,14H,7-9H2,1-3H3,(H2,17,18).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine?
1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).