[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol

C21H16Cl2N2O — CID 2960419

IUPAC[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O/c22-16-11-10-15(17(23)12-16)13-25-19-9-5-4-8-18(19)24-21(25)20(26)14-6-2-1-3-7-14/h1-12,20,26H,13H2
InChIKeyPBBNOYZBUOWHHS-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.47
Rot. Bonds4

About [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol

[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol (PubChem CID 2960419) has the molecular formula C21H16Cl2N2O and a molecular weight of 383.28 g/mol. Its IUPAC name is [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
PubChem CID2960419
Molecular FormulaC21H16Cl2N2O
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol
SMILESOC(c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C21H16Cl2N2O/c22-16-11-10-15(17(23)12-16)13-25-19-9-5-4-8-18(19)24-21(25)20(26)14-6-2-1-3-7-14/h1-12,20,26H,13H2
InChIKeyPBBNOYZBUOWHHS-UHFFFAOYSA-N
XLogP5.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The IUPAC name of [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol (CID 2960419) is [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol.
What is the SMILES notation for [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The canonical SMILES for [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol is OC(c1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
The InChIKey is PBBNOYZBUOWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2O/c22-16-11-10-15(17(23)12-16)13-25-19-9-5-4-8-18(19)24-21(25)20(26)14-6-2-1-3-7-14/h1-12,20,26H,13H2.
What are the key properties of [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol?
[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol has a molecular weight of 383.28 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-phenylmethanol is sourced from PubChem (CID 2960419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).