(2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol

C14H20N2O — CID 167415969

IUPAC(2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol
SMILESCc1cc(CO)c2nc(C(C)(C)C)n(C)c2c1
InChIInChI=1S/C14H20N2O/c1-9-6-10(8-17)12-11(7-9)16(5)13(15-12)14(2,3)4/h6-7,17H,8H2,1-5H3
InChIKeyIZQFUVVSRMFOAT-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds1

About (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol

(2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol (PubChem CID 167415969) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol
PubChem CID167415969
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol
SMILESCc1cc(CO)c2nc(C(C)(C)C)n(C)c2c1
InChIInChI=1S/C14H20N2O/c1-9-6-10(8-17)12-11(7-9)16(5)13(15-12)14(2,3)4/h6-7,17H,8H2,1-5H3
InChIKeyIZQFUVVSRMFOAT-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol?
The IUPAC name of (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol (CID 167415969) is (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol is Cc1cc(CO)c2nc(C(C)(C)C)n(C)c2c1.
What is the InChIKey of (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol?
The InChIKey is IZQFUVVSRMFOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-6-10(8-17)12-11(7-9)16(5)13(15-12)14(2,3)4/h6-7,17H,8H2,1-5H3.
What are the key properties of (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol?
(2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol has a molecular weight of 232.33 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,6-dimethylbenzimidazol-4-yl)methanol is sourced from PubChem (CID 167415969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).