2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline

C16H15N3 — CID 155100435

IUPAC2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline
SMILESCc1ccc(-c2ncc[nH]2)c(Nc2ccccc2)c1
InChIInChI=1S/C16H15N3/c1-12-7-8-14(16-17-9-10-18-16)15(11-12)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18)
InChIKeyLDQPZAUZXQEEHK-UHFFFAOYSA-N
MW249.32 g/mol
LogP4.13
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline

2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline (PubChem CID 155100435) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline
PubChem CID155100435
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline
SMILESCc1ccc(-c2ncc[nH]2)c(Nc2ccccc2)c1
InChIInChI=1S/C16H15N3/c1-12-7-8-14(16-17-9-10-18-16)15(11-12)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18)
InChIKeyLDQPZAUZXQEEHK-UHFFFAOYSA-N
XLogP4.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline?
The IUPAC name of 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline (CID 155100435) is 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline?
The canonical SMILES for 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline is Cc1ccc(-c2ncc[nH]2)c(Nc2ccccc2)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline?
The InChIKey is LDQPZAUZXQEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-12-7-8-14(16-17-9-10-18-16)15(11-12)19-13-5-3-2-4-6-13/h2-11,19H,1H3,(H,17,18).
What are the key properties of 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline?
2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline has a molecular weight of 249.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-5-methyl-N-phenylaniline is sourced from PubChem (CID 155100435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).