1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine

C17H15N3 — CID 123541179

IUPAC1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H15N3/c1-2-4-17(5-3-1)19-12-15-6-8-16(9-7-15)13-20-11-10-18-14-20/h1-12,14H,13H2/b19-12+
InChIKeyCOXPZUQAZZQZOF-XDHOZWIPSA-N
MW261.33 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine

1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine (PubChem CID 123541179) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine.

Molecular Properties

Compound Name1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
PubChem CID123541179
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
SMILESC(=N/c1ccccc1)\c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H15N3/c1-2-4-17(5-3-1)19-12-15-6-8-16(9-7-15)13-20-11-10-18-14-20/h1-12,14H,13H2/b19-12+
InChIKeyCOXPZUQAZZQZOF-XDHOZWIPSA-N
XLogP3.68
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 144833537
benzaldehyde;1-benzylimidazole
CID 23446402
N-[4-[[3-(imidazol-1-ylmethyl)phenyl]iminomethyl]phenyl]acetamide
CID 6481807
N-(benzylideneamino)-4-(imidazol-1-ylmethyl)benzamide
CID 86084165
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
(E)-4-[4-(imidazol-1-ylmethyl)phenyl]but-3-en-1-ol
CID 70049349
sodium;hydride;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 173012997
N-[[4-(imidazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619376
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
N,1-diphenylmethanimine
CID 10858
1-[[4-(imidazol-1-ylmethyl)phenyl]iminomethyl]-3,6-dihydropyrrolo[3,2-f]quinolin-2-one
CID 135486211

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine?
The IUPAC name of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine (CID 123541179) is 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine.
What is the SMILES notation for 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine?
The canonical SMILES for 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine is C(=N/c1ccccc1)\c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine?
The InChIKey is COXPZUQAZZQZOF-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H15N3/c1-2-4-17(5-3-1)19-12-15-6-8-16(9-7-15)13-20-11-10-18-14-20/h1-12,14H,13H2/b19-12+.
What are the key properties of 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine?
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine has a molecular weight of 261.33 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine is sourced from PubChem (CID 123541179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).