3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine

C18H19N3 — CID 62222262

IUPAC3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine
SMILESCCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1N
InChIInChI=1S/C18H19N3/c1-3-21-17(19)16(15-11-7-8-13(2)12-15)20-18(21)14-9-5-4-6-10-14/h4-12H,3,19H2,1-2H3
InChIKeyDCYABSOOTVAXOR-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.13
Rot. Bonds3

About 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine

3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine (PubChem CID 62222262) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine
PubChem CID62222262
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine
SMILESCCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1N
InChIInChI=1S/C18H19N3/c1-3-21-17(19)16(15-11-7-8-13(2)12-15)20-18(21)14-9-5-4-6-10-14/h4-12H,3,19H2,1-2H3
InChIKeyDCYABSOOTVAXOR-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine?
The IUPAC name of 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine (CID 62222262) is 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine.
What is the SMILES notation for 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine?
The canonical SMILES for 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine is CCn1c(-c2ccccc2)nc(-c2cccc(C)c2)c1N.
What is the InChIKey of 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine?
The InChIKey is DCYABSOOTVAXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-3-21-17(19)16(15-11-7-8-13(2)12-15)20-18(21)14-9-5-4-6-10-14/h4-12H,3,19H2,1-2H3.
What are the key properties of 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine?
3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine has a molecular weight of 277.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(3-methylphenyl)-2-phenylimidazol-4-amine is sourced from PubChem (CID 62222262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).