2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol

C24H23N3O — CID 2920739

IUPAC2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol
SMILES[H]/N=c1\n(CC=C)c2ccccc2n1CC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-2-16-26-21-10-6-7-11-22(21)27(24(26)25)17-23(28)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h2-15,23,25,28H,1,16-17H2/b25-24+
InChIKeyCYLGNYPAHRKAGZ-OCOZRVBESA-N
MW369.47 g/mol
LogP4.51
Rot. Bonds6

About 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol

2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol (PubChem CID 2920739) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol
PubChem CID2920739
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol
SMILES[H]/N=c1\n(CC=C)c2ccccc2n1CC(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-2-16-26-21-10-6-7-11-22(21)27(24(26)25)17-23(28)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h2-15,23,25,28H,1,16-17H2/b25-24+
InChIKeyCYLGNYPAHRKAGZ-OCOZRVBESA-N
XLogP4.51
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol?
The IUPAC name of 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol (CID 2920739) is 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol.
What is the SMILES notation for 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol?
The canonical SMILES for 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol is [H]/N=c1\n(CC=C)c2ccccc2n1CC(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol?
The InChIKey is CYLGNYPAHRKAGZ-OCOZRVBESA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-16-26-21-10-6-7-11-22(21)27(24(26)25)17-23(28)20-14-12-19(13-15-20)18-8-4-3-5-9-18/h2-15,23,25,28H,1,16-17H2/b25-24+.
What are the key properties of 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol?
2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol has a molecular weight of 369.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-prop-2-enylbenzimidazol-1-yl)-1-(4-phenylphenyl)ethanol is sourced from PubChem (CID 2920739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).