(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine

C11H11N3 — CID 19862556

IUPAC(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine
SMILESCc1cn(/N=C/c2ccccc2)cn1
InChIInChI=1S/C11H11N3/c1-10-8-14(9-12-10)13-7-11-5-3-2-4-6-11/h2-9H,1H3/b13-7+
InChIKeyMOOUBHZGTDUWPC-NTUHNPAUSA-N
MW185.23 g/mol
LogP2.07
Rot. Bonds2

About (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine

(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine (PubChem CID 19862556) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine
PubChem CID19862556
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine
SMILESCc1cn(/N=C/c2ccccc2)cn1
InChIInChI=1S/C11H11N3/c1-10-8-14(9-12-10)13-7-11-5-3-2-4-6-11/h2-9H,1H3/b13-7+
InChIKeyMOOUBHZGTDUWPC-NTUHNPAUSA-N
XLogP2.07
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-phenyl-N-pyrrol-1-ylmethanimine
CID 5374198
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5425371
5-[(Z)-benzylideneamino]-2-methylpyrazolo[3,4-d]pyrimidin-4-one
CID 5453443
(E)-N-[4-[(E)-benzylideneamino]-5-methyl-1,2,4-triazol-3-yl]-1-phenylmethanimine
CID 172916281
benzene;1,4-dimethylimidazole
CID 91025463
(E)-N-[3,5-bis(3-methylphenyl)-1,2,4-triazol-4-yl]-1-phenylmethanimine
CID 15499601
4-[(E)-benzylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
CID 6858358
N-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-phenylmethanimine
CID 5211880
4-[(E)-benzylideneamino]-3-(2-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 6867331
N-[3-(benzylideneamino)imidazol-3-ium-1-yl]-1-phenylmethanimine
CID 54336771
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N-oxido-1-phenylmethanimine
CID 3712496

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine?
The IUPAC name of (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine (CID 19862556) is (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine.
What is the SMILES notation for (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine?
The canonical SMILES for (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine is Cc1cn(/N=C/c2ccccc2)cn1.
What is the InChIKey of (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine?
The InChIKey is MOOUBHZGTDUWPC-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N3/c1-10-8-14(9-12-10)13-7-11-5-3-2-4-6-11/h2-9H,1H3/b13-7+.
What are the key properties of (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine?
(E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine has a molecular weight of 185.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylimidazol-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 19862556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).