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

C11H11N3 — CID 123643271

IUPACN-[4-(imidazol-1-ylmethyl)phenyl]methanimine
SMILESC=Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C11H11N3/c1-12-11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2-7,9H,1,8H2
InChIKeyRXNPHOMJBUIHEK-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.26
Rot. Bonds3

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

N-[4-(imidazol-1-ylmethyl)phenyl]methanimine (PubChem CID 123643271) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-[4-(imidazol-1-ylmethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[4-(imidazol-1-ylmethyl)phenyl]methanimine
PubChem CID123643271
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC NameN-[4-(imidazol-1-ylmethyl)phenyl]methanimine
SMILESC=Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C11H11N3/c1-12-11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2-7,9H,1,8H2
InChIKeyRXNPHOMJBUIHEK-UHFFFAOYSA-N
XLogP2.26
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.26
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

1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
4-(imidazol-1-ylmethyl)benzoate
CID 42555847
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 123541179
5-[4-(imidazol-1-ylmethyl)phenyl]benzene-1,2,3-triol
CID 23644764
1-benzylimidazole;chloro hypochlorite;selane
CID 175250503
N-[2-[4-(imidazol-1-ylmethyl)phenyl]ethyl]propan-1-amine
CID 105348525
ethane;1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 144833537
1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazole
CID 28740129
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
1,3-diethyl-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110916069
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479

Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]methanimine?
The IUPAC name of N-[4-(imidazol-1-ylmethyl)phenyl]methanimine (CID 123643271) is N-[4-(imidazol-1-ylmethyl)phenyl]methanimine.
What is the SMILES notation for N-[4-(imidazol-1-ylmethyl)phenyl]methanimine?
The canonical SMILES for N-[4-(imidazol-1-ylmethyl)phenyl]methanimine is C=Nc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[4-(imidazol-1-ylmethyl)phenyl]methanimine?
The InChIKey is RXNPHOMJBUIHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-12-11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2-7,9H,1,8H2.
What are the key properties of N-[4-(imidazol-1-ylmethyl)phenyl]methanimine?
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine has a molecular weight of 185.23 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazol-1-ylmethyl)phenyl]methanimine is sourced from PubChem (CID 123643271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).