[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol

C17H18N2O — CID 962431

IUPAC[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol
SMILESCc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3
InChIKeyRZRPPZWEPMDGEI-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.19
Rot. Bonds3

About [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol

[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol (PubChem CID 962431) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol
PubChem CID962431
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol
SMILESCc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1
InChIInChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3
InChIKeyRZRPPZWEPMDGEI-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol (CID 962431) is [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol is Cc1ccc(C)c(Cn2c(CO)nc3ccccc32)c1.
What is the InChIKey of [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol?
The InChIKey is RZRPPZWEPMDGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-7-8-13(2)14(9-12)10-19-16-6-4-3-5-15(16)18-17(19)11-20/h3-9,20H,10-11H2,1-2H3.
What are the key properties of [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol?
[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol has a molecular weight of 266.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 962431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).