[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol

C10H18N2O — CID 106717322

IUPAC[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
SMILESCC(C)(C)CCn1cnc(CO)c1
InChIInChI=1S/C10H18N2O/c1-10(2,3)4-5-12-6-9(7-13)11-8-12/h6,8,13H,4-5,7H2,1-3H3
InChIKeyBNJCHXKYXRMDIV-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.81
Rot. Bonds3

About [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol

[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol (PubChem CID 106717322) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
PubChem CID106717322
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
SMILESCC(C)(C)CCn1cnc(CO)c1
InChIInChI=1S/C10H18N2O/c1-10(2,3)4-5-12-6-9(7-13)11-8-12/h6,8,13H,4-5,7H2,1-3H3
InChIKeyBNJCHXKYXRMDIV-UHFFFAOYSA-N
XLogP1.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
CID 106717490
6-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
CID 106717339
(1-pentylimidazol-4-yl)methanol
CID 11147952
5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
2-methyl-4-[4-(methylaminomethyl)imidazol-1-yl]butan-2-ol
CID 106718552
1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
CID 106717444
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261
[1-[2-(3-methoxypropoxy)ethyl]imidazol-4-yl]methanol
CID 106717267
[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanol
CID 106717253
4-(3,3-dimethylbutyl)-1-methylimidazole
CID 59832140
4-[4-(2-aminoethyl)imidazol-1-yl]-2,2-dimethylbutanenitrile
CID 79983161

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol?
The IUPAC name of [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol (CID 106717322) is [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol.
What is the SMILES notation for [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol?
The canonical SMILES for [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol is CC(C)(C)CCn1cnc(CO)c1.
What is the InChIKey of [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol?
The InChIKey is BNJCHXKYXRMDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-10(2,3)4-5-12-6-9(7-13)11-8-12/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol?
[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol has a molecular weight of 182.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-dimethylbutyl)imidazol-4-yl]methanol is sourced from PubChem (CID 106717322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).