2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol

C24H25N3O — CID 155774489

IUPAC2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol
SMILES[H]/N=c1\n(Cc2ccc(C)cc2)c2ccccc2n1C(CO)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O/c1-17-7-11-19(12-8-17)15-26-21-5-3-4-6-22(21)27(24(26)25)23(16-28)20-13-9-18(2)10-14-20/h3-14,23,25,28H,15-16H2,1-2H3/b25-24+
InChIKeyMMZSJQXISVADAA-OCOZRVBESA-N
MW371.48 g/mol
LogP4.17
Rot. Bonds5

About 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol

2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol (PubChem CID 155774489) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol
PubChem CID155774489
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol
SMILES[H]/N=c1\n(Cc2ccc(C)cc2)c2ccccc2n1C(CO)c1ccc(C)cc1
InChIInChI=1S/C24H25N3O/c1-17-7-11-19(12-8-17)15-26-21-5-3-4-6-22(21)27(24(26)25)23(16-28)20-13-9-18(2)10-14-20/h3-14,23,25,28H,15-16H2,1-2H3/b25-24+
InChIKeyMMZSJQXISVADAA-OCOZRVBESA-N
XLogP4.17
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol?
The IUPAC name of 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol (CID 155774489) is 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol?
The canonical SMILES for 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol is [H]/N=c1\n(Cc2ccc(C)cc2)c2ccccc2n1C(CO)c1ccc(C)cc1.
What is the InChIKey of 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol?
The InChIKey is MMZSJQXISVADAA-OCOZRVBESA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-7-11-19(12-8-17)15-26-21-5-3-4-6-22(21)27(24(26)25)23(16-28)20-13-9-18(2)10-14-20/h3-14,23,25,28H,15-16H2,1-2H3/b25-24+.
What are the key properties of 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol?
2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol has a molecular weight of 371.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 155774489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).