1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine

C16H15N3O — CID 106556281

IUPAC1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
SMILESCn1ccnc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c1-19-12-11-17-16(19)18-13-7-9-15(10-8-13)20-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)
InChIKeyHFGRQNITHZQPBQ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.96
Rot. Bonds4

About 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine

1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine (PubChem CID 106556281) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
PubChem CID106556281
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine
SMILESCn1ccnc1Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H15N3O/c1-19-12-11-17-16(19)18-13-7-9-15(10-8-13)20-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)
InChIKeyHFGRQNITHZQPBQ-UHFFFAOYSA-N
XLogP3.96
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine?
The IUPAC name of 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine (CID 106556281) is 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine is Cn1ccnc1Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine?
The InChIKey is HFGRQNITHZQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-19-12-11-17-16(19)18-13-7-9-15(10-8-13)20-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18).
What are the key properties of 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine?
1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine has a molecular weight of 265.32 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-phenoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106556281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).