1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine

C23H23N3O — CID 1112929

IUPAC1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C23H23N3O/c1-18-11-13-19(14-12-18)17-26-22-10-6-5-9-21(22)25(23(26)24)15-16-27-20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3/b24-23+
InChIKeyQELUXIAOCKGQDZ-WCWDXBQESA-N
MW357.46 g/mol
LogP4.36
Rot. Bonds6

About 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine

1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine (PubChem CID 1112929) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
PubChem CID1112929
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine
SMILES[H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C23H23N3O/c1-18-11-13-19(14-12-18)17-26-22-10-6-5-9-21(22)25(23(26)24)15-16-27-20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3/b24-23+
InChIKeyQELUXIAOCKGQDZ-WCWDXBQESA-N
XLogP4.36
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(4-methylphenoxy)ethyl]-3-propan-2-ylbenzimidazol-2-imine
CID 949113
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
ethyl 2-[2-imino-3-[2-(4-methylphenoxy)ethyl]benzimidazol-1-yl]acetate
CID 35215833
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
1-(2-phenoxyethyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-imine
CID 1043068
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687
2-[2-imino-3-[(4-phenylphenyl)methyl]benzimidazol-1-yl]-N,N-dimethylethanamine
CID 91972355

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine (CID 1112929) is 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine is [H]/N=c1\n(CCOc2ccccc2)c2ccccc2n1Cc1ccc(C)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine?
The InChIKey is QELUXIAOCKGQDZ-WCWDXBQESA-N. The full InChI is InChI=1S/C23H23N3O/c1-18-11-13-19(14-12-18)17-26-22-10-6-5-9-21(22)25(23(26)24)15-16-27-20-7-3-2-4-8-20/h2-14,24H,15-17H2,1H3/b24-23+.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine?
1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine has a molecular weight of 357.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine is sourced from PubChem (CID 1112929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).