1-imidazol-1-yl-2,3-dimethylbutan-2-ol

C9H16N2O — CID 114447498

IUPAC1-imidazol-1-yl-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cn1ccnc1
InChIInChI=1S/C9H16N2O/c1-8(2)9(3,12)6-11-5-4-10-7-11/h4-5,7-8,12H,6H2,1-3H3
InChIKeyZRNHASPAAGMFDY-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.29
Rot. Bonds3

About 1-imidazol-1-yl-2,3-dimethylbutan-2-ol

1-imidazol-1-yl-2,3-dimethylbutan-2-ol (PubChem CID 114447498) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-imidazol-1-yl-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-2,3-dimethylbutan-2-ol
PubChem CID114447498
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-imidazol-1-yl-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)Cn1ccnc1
InChIInChI=1S/C9H16N2O/c1-8(2)9(3,12)6-11-5-4-10-7-11/h4-5,7-8,12H,6H2,1-3H3
InChIKeyZRNHASPAAGMFDY-UHFFFAOYSA-N
XLogP1.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-2-methyl-3-(4-phenylsulfanylphenyl)butan-2-ol
CID 20573712
1-imidazol-1-yl-3-methyl-2-phenylbutan-2-ol
CID 178019209
3-imidazol-1-yl-2,2-dimethylpropanoic acid
CID 59815669
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
1-imidazol-1-yl-N,N,2-trimethylpropan-2-amine
CID 3062753
1-[3-imidazol-1-yl-2,2-bis(imidazol-1-ylmethyl)propyl]imidazole;pentahydrate
CID 139144958
3-imidazol-1-yl-2-methyl-1-[4-(3-methylbutylsulfanyl)phenyl]-1-phenylpropan-2-ol
CID 20573264
1-(2,2,2-trifluoroethyl)imidazole
CID 13288518
tert-butyl 2-amino-3-imidazol-1-yl-2-methylpropanoate
CID 165490503
1-(3-chloropyrazol-1-yl)-2,3-dimethylbutan-2-ol
CID 130698281
3-[(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)amino]-2-methylbutan-2-ol
CID 65337512
3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
CID 20572805

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-imidazol-1-yl-2,3-dimethylbutan-2-ol (CID 114447498) is 1-imidazol-1-yl-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-2,3-dimethylbutan-2-ol?
The InChIKey is ZRNHASPAAGMFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)9(3,12)6-11-5-4-10-7-11/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-2,3-dimethylbutan-2-ol?
1-imidazol-1-yl-2,3-dimethylbutan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114447498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).