2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

C16H27N3 — CID 107186446

IUPAC2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C2CCCCC2(C)C)nc2c1CCC(N)C2
InChIInChI=1S/C16H27N3/c1-16(2)9-5-4-6-12(16)15-18-13-10-11(17)7-8-14(13)19(15)3/h11-12H,4-10,17H2,1-3H3
InChIKeyJMZYQOFCYVTRBG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.92
Rot. Bonds1

About 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 107186446) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID107186446
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C2CCCCC2(C)C)nc2c1CCC(N)C2
InChIInChI=1S/C16H27N3/c1-16(2)9-5-4-6-12(16)15-18-13-10-11(17)7-8-14(13)19(15)3/h11-12H,4-10,17H2,1-3H3
InChIKeyJMZYQOFCYVTRBG-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 107186446) is 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is Cn1c(C2CCCCC2(C)C)nc2c1CCC(N)C2.
What is the InChIKey of 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is JMZYQOFCYVTRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-16(2)9-5-4-6-12(16)15-18-13-10-11(17)7-8-14(13)19(15)3/h11-12H,4-10,17H2,1-3H3.
What are the key properties of 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 261.41 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclohexyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 107186446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).