N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine

C22H19N3O — CID 87288116

IUPACN-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine
SMILESCON=Cc1ccc2c(c1)ncn2-c1cccc(-c2ccccc2C)c1
InChIInChI=1S/C22H19N3O/c1-16-6-3-4-9-20(16)18-7-5-8-19(13-18)25-15-23-21-12-17(14-24-26-2)10-11-22(21)25/h3-15H,1-2H3
InChIKeyBTKJNRPXMOQDAD-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.98
Rot. Bonds4

About N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine

N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine (PubChem CID 87288116) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine
PubChem CID87288116
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC NameN-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine
SMILESCON=Cc1ccc2c(c1)ncn2-c1cccc(-c2ccccc2C)c1
InChIInChI=1S/C22H19N3O/c1-16-6-3-4-9-20(16)18-7-5-8-19(13-18)25-15-23-21-12-17(14-24-26-2)10-11-22(21)25/h3-15H,1-2H3
InChIKeyBTKJNRPXMOQDAD-UHFFFAOYSA-N
XLogP4.98
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylphenyl)-1-phenylbenzimidazole
CID 144976138
N-[[1-[3-(2-ethylphenyl)phenyl]benzimidazol-5-yl]methylidene]hydroxylamine
CID 87288205
N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine
CID 73174852
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
(1S)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine;(1S)-1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 157206160
1-[3-(2-propan-2-yloxyphenyl)phenyl]benzimidazole-5-carbonitrile
CID 24768638
1-[1-[3-(2-methoxy-3-pyridinyl)phenyl]benzimidazol-5-yl]ethanone
CID 67152246
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673
(1R)-1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67096152
1-[3-(2-ethylphenyl)phenyl]-N'-hydroxybenzimidazole-5-carboximidamide
CID 91432292
1-[3-(5-chloro-2-methylphenyl)phenyl]-5-(1H-pyrazol-5-yl)benzimidazole
CID 58349870
(1R)-1-[1-[3-(3-chloro-2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanamine
CID 67095940

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine?
The IUPAC name of N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine (CID 87288116) is N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine.
What is the SMILES notation for N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine?
The canonical SMILES for N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine is CON=Cc1ccc2c(c1)ncn2-c1cccc(-c2ccccc2C)c1.
What is the InChIKey of N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine?
The InChIKey is BTKJNRPXMOQDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-16-6-3-4-9-20(16)18-7-5-8-19(13-18)25-15-23-21-12-17(14-24-26-2)10-11-22(21)25/h3-15H,1-2H3.
What are the key properties of N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine?
N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine has a molecular weight of 341.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[1-[3-(2-methylphenyl)phenyl]benzimidazol-5-yl]methanimine is sourced from PubChem (CID 87288116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).