[3-(3-methylbutyl)imidazol-4-yl]methanol

C9H16N2O — CID 18670902

IUPAC[3-(3-methylbutyl)imidazol-4-yl]methanol
SMILESCC(C)CCn1cncc1CO
InChIInChI=1S/C9H16N2O/c1-8(2)3-4-11-7-10-5-9(11)6-12/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyRBOGVPKXWZLXOM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.42
Rot. Bonds4

About [3-(3-methylbutyl)imidazol-4-yl]methanol

[3-(3-methylbutyl)imidazol-4-yl]methanol (PubChem CID 18670902) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is [3-(3-methylbutyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3-methylbutyl)imidazol-4-yl]methanol
PubChem CID18670902
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name[3-(3-methylbutyl)imidazol-4-yl]methanol
SMILESCC(C)CCn1cncc1CO
InChIInChI=1S/C9H16N2O/c1-8(2)3-4-11-7-10-5-9(11)6-12/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyRBOGVPKXWZLXOM-UHFFFAOYSA-N
XLogP1.42
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutyl)imidazol-4-yl]methanol?
The IUPAC name of [3-(3-methylbutyl)imidazol-4-yl]methanol (CID 18670902) is [3-(3-methylbutyl)imidazol-4-yl]methanol.
What is the SMILES notation for [3-(3-methylbutyl)imidazol-4-yl]methanol?
The canonical SMILES for [3-(3-methylbutyl)imidazol-4-yl]methanol is CC(C)CCn1cncc1CO.
What is the InChIKey of [3-(3-methylbutyl)imidazol-4-yl]methanol?
The InChIKey is RBOGVPKXWZLXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)3-4-11-7-10-5-9(11)6-12/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of [3-(3-methylbutyl)imidazol-4-yl]methanol?
[3-(3-methylbutyl)imidazol-4-yl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutyl)imidazol-4-yl]methanol is sourced from PubChem (CID 18670902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).