[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol

C13H18N2O — CID 165416489

IUPAC[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
SMILESCc1ccc2nc(CO)n(CC(C)C)c2c1
InChIInChI=1S/C13H18N2O/c1-9(2)7-15-12-6-10(3)4-5-11(12)14-13(15)8-16/h4-6,9,16H,7-8H2,1-3H3
InChIKeyUXABZYIGUXLQSI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.49
Rot. Bonds3

About [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol

[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol (PubChem CID 165416489) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
PubChem CID165416489
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol
SMILESCc1ccc2nc(CO)n(CC(C)C)c2c1
InChIInChI=1S/C13H18N2O/c1-9(2)7-15-12-6-10(3)4-5-11(12)14-13(15)8-16/h4-6,9,16H,7-8H2,1-3H3
InChIKeyUXABZYIGUXLQSI-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
The IUPAC name of [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol (CID 165416489) is [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
The canonical SMILES for [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol is Cc1ccc2nc(CO)n(CC(C)C)c2c1.
What is the InChIKey of [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
The InChIKey is UXABZYIGUXLQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)7-15-12-6-10(3)4-5-11(12)14-13(15)8-16/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol?
[6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol has a molecular weight of 218.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(2-methylpropyl)benzimidazol-2-yl]methanol is sourced from PubChem (CID 165416489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).