2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine

C18H24BrN3 — CID 129193926

IUPAC2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine
SMILESCC1=NC(c2cc(Br)ccc2C)(C2CCC(C)CC2)N=C1N
InChIInChI=1S/C18H24BrN3/c1-11-4-7-14(8-5-11)18(21-13(3)17(20)22-18)16-10-15(19)9-6-12(16)2/h6,9-11,14H,4-5,7-8H2,1-3H3,(H2,20,22)
InChIKeyTYETUPRUJGDEBY-UHFFFAOYSA-N
MW362.32 g/mol
LogP4.57
Rot. Bonds2

About 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine

2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine (PubChem CID 129193926) has the molecular formula C18H24BrN3 and a molecular weight of 362.32 g/mol. Its IUPAC name is 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine.

Molecular Properties

Compound Name2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine
PubChem CID129193926
Molecular FormulaC18H24BrN3
Molecular Weight362.32 g/mol
Exact Mass361.12
IUPAC Name2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine
SMILESCC1=NC(c2cc(Br)ccc2C)(C2CCC(C)CC2)N=C1N
InChIInChI=1S/C18H24BrN3/c1-11-4-7-14(8-5-11)18(21-13(3)17(20)22-18)16-10-15(19)9-6-12(16)2/h6,9-11,14H,4-5,7-8H2,1-3H3,(H2,20,22)
InChIKeyTYETUPRUJGDEBY-UHFFFAOYSA-N
XLogP4.57
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine?
The IUPAC name of 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine (CID 129193926) is 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine.
What is the SMILES notation for 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine?
The canonical SMILES for 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine is CC1=NC(c2cc(Br)ccc2C)(C2CCC(C)CC2)N=C1N.
What is the InChIKey of 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine?
The InChIKey is TYETUPRUJGDEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3/c1-11-4-7-14(8-5-11)18(21-13(3)17(20)22-18)16-10-15(19)9-6-12(16)2/h6,9-11,14H,4-5,7-8H2,1-3H3,(H2,20,22).
What are the key properties of 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine?
2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine has a molecular weight of 362.32 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylphenyl)-5-methyl-2-(4-methylcyclohexyl)imidazol-4-amine is sourced from PubChem (CID 129193926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).