(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol

C9H14N2O — CID 83434426

IUPAC(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol
SMILESCn1cnc2c1C(CO)CCC2
InChIInChI=1S/C9H14N2O/c1-11-6-10-8-4-2-3-7(5-12)9(8)11/h6-7,12H,2-5H2,1H3
InChIKeyHKJFRMFHTSOZRI-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.83
Rot. Bonds1

About (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol

(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol (PubChem CID 83434426) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol
PubChem CID83434426
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol
SMILESCn1cnc2c1C(CO)CCC2
InChIInChI=1S/C9H14N2O/c1-11-6-10-8-4-2-3-7(5-12)9(8)11/h6-7,12H,2-5H2,1H3
InChIKeyHKJFRMFHTSOZRI-UHFFFAOYSA-N
XLogP0.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol?
The IUPAC name of (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol (CID 83434426) is (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol?
The canonical SMILES for (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol is Cn1cnc2c1C(CO)CCC2.
What is the InChIKey of (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol?
The InChIKey is HKJFRMFHTSOZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11-6-10-8-4-2-3-7(5-12)9(8)11/h6-7,12H,2-5H2,1H3.
What are the key properties of (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol?
(3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol has a molecular weight of 166.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-yl)methanol is sourced from PubChem (CID 83434426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).