[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine

C18H19N3 — CID 114703207

IUPAC[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine
SMILESCc1ccc(C)c(-n2cncc2C(N)c2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-14(2)16(10-13)21-12-20-11-17(21)18(19)15-6-4-3-5-7-15/h3-12,18H,19H2,1-2H3
InChIKeyDITGCXCSYSPSOD-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.54
Rot. Bonds3

About [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine

[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine (PubChem CID 114703207) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine
PubChem CID114703207
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine
SMILESCc1ccc(C)c(-n2cncc2C(N)c2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-13-8-9-14(2)16(10-13)21-12-20-11-17(21)18(19)15-6-4-3-5-7-15/h3-12,18H,19H2,1-2H3
InChIKeyDITGCXCSYSPSOD-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine (CID 114703207) is [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine is Cc1ccc(C)c(-n2cncc2C(N)c2ccccc2)c1.
What is the InChIKey of [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine?
The InChIKey is DITGCXCSYSPSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-8-9-14(2)16(10-13)21-12-20-11-17(21)18(19)15-6-4-3-5-7-15/h3-12,18H,19H2,1-2H3.
What are the key properties of [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine?
[3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylphenyl)imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 114703207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).