4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine

C17H23N3 — CID 106565725

IUPAC4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NC2(C)CCCCC2)n1
InChIInChI=1S/C17H23N3/c1-14-13-20(15-9-5-3-6-10-15)16(18-14)19-17(2)11-7-4-8-12-17/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyDHNOXAHVEBTCJP-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.32
Rot. Bonds3

About 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine

4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine (PubChem CID 106565725) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine
PubChem CID106565725
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine
SMILESCc1cn(-c2ccccc2)c(NC2(C)CCCCC2)n1
InChIInChI=1S/C17H23N3/c1-14-13-20(15-9-5-3-6-10-15)16(18-14)19-17(2)11-7-4-8-12-17/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,18,19)
InChIKeyDHNOXAHVEBTCJP-UHFFFAOYSA-N
XLogP4.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine (CID 106565725) is 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine is Cc1cn(-c2ccccc2)c(NC2(C)CCCCC2)n1.
What is the InChIKey of 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine?
The InChIKey is DHNOXAHVEBTCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-13-20(15-9-5-3-6-10-15)16(18-14)19-17(2)11-7-4-8-12-17/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine?
4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylcyclohexyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106565725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).