N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine

C18H25N3 — CID 106576691

IUPACN-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NC2CCCCC2(C)C)n1
InChIInChI=1S/C18H25N3/c1-14-13-21(15-9-5-4-6-10-15)17(19-14)20-16-11-7-8-12-18(16,2)3/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3,(H,19,20)
InChIKeyYSMNQNNFYHTYBL-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.56
Rot. Bonds3

About N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine

N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine (PubChem CID 106576691) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine
PubChem CID106576691
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NC2CCCCC2(C)C)n1
InChIInChI=1S/C18H25N3/c1-14-13-21(15-9-5-4-6-10-15)17(19-14)20-16-11-7-8-12-18(16,2)3/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3,(H,19,20)
InChIKeyYSMNQNNFYHTYBL-UHFFFAOYSA-N
XLogP4.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine (CID 106576691) is N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NC2CCCCC2(C)C)n1.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine?
The InChIKey is YSMNQNNFYHTYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-13-21(15-9-5-4-6-10-15)17(19-14)20-16-11-7-8-12-18(16,2)3/h4-6,9-10,13,16H,7-8,11-12H2,1-3H3,(H,19,20).
What are the key properties of N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine?
N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-4-methyl-1-phenylimidazol-2-amine is sourced from PubChem (CID 106576691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).