6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine

C18H27N3 — CID 79836530

IUPAC6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(n2cnc3cc(C)c(C)cc32)CCCC1(C)C
InChIInChI=1S/C18H27N3/c1-12-9-14-16(10-13(12)2)21(11-20-14)15-7-6-8-18(3,4)17(15)19-5/h9-11,15,17,19H,6-8H2,1-5H3
InChIKeyDNHZXPZDJTWKAV-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.99
Rot. Bonds2

About 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine

6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine (PubChem CID 79836530) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine
PubChem CID79836530
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine
SMILESCNC1C(n2cnc3cc(C)c(C)cc32)CCCC1(C)C
InChIInChI=1S/C18H27N3/c1-12-9-14-16(10-13(12)2)21(11-20-14)15-7-6-8-18(3,4)17(15)19-5/h9-11,15,17,19H,6-8H2,1-5H3
InChIKeyDNHZXPZDJTWKAV-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine?
The IUPAC name of 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine (CID 79836530) is 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine?
The canonical SMILES for 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine is CNC1C(n2cnc3cc(C)c(C)cc32)CCCC1(C)C.
What is the InChIKey of 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine?
The InChIKey is DNHZXPZDJTWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-12-9-14-16(10-13(12)2)21(11-20-14)15-7-6-8-18(3,4)17(15)19-5/h9-11,15,17,19H,6-8H2,1-5H3.
What are the key properties of 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine?
6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethylbenzimidazol-1-yl)-N,2,2-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79836530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).