1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol

C17H32N2O — CID 91093411

IUPAC1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol
SMILESCCCC(C)Cc1cnc(C(C)CC)n1CC(O)CC
InChIInChI=1S/C17H32N2O/c1-6-9-13(4)10-15-11-18-17(14(5)7-2)19(15)12-16(20)8-3/h11,13-14,16,20H,6-10,12H2,1-5H3
InChIKeyKPCFJNBXSQPDAJ-UHFFFAOYSA-N
MW280.46 g/mol
LogP4.15
Rot. Bonds9

About 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol

1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol (PubChem CID 91093411) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol
PubChem CID91093411
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol
SMILESCCCC(C)Cc1cnc(C(C)CC)n1CC(O)CC
InChIInChI=1S/C17H32N2O/c1-6-9-13(4)10-15-11-18-17(14(5)7-2)19(15)12-16(20)8-3/h11,13-14,16,20H,6-10,12H2,1-5H3
InChIKeyKPCFJNBXSQPDAJ-UHFFFAOYSA-N
XLogP4.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol
CID 123272110
1-[1-(3-Fluorobut-3-enyl)-4-methylimidazol-2-yl]-2-methylpropan-1-ol
CID 156287899
1-[1-[4-(4,4-Difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol
CID 156287958
1-[1-[4-(4,4-Difluoropiperidin-1-yl)but-1-en-2-yl]-4-methylimidazol-2-yl]-2-methylpropan-1-ol;ethane
CID 156730979
2-[1-(Fluoromethyl)-5-propylimidazol-2-yl]ethanol
CID 170194885
1-(2,3-Dimethylimidazol-4-yl)-2,2-difluoropropan-1-ol
CID 130641811
1-[1-(4-Fluorobut-1-en-2-yl)-4-methylimidazol-2-yl]-2-methylpropan-1-ol
CID 156730975
(6S,7S,8S)-3-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11521990
(6S,7S,8S)-2-(2-cyclohexylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 11680727
2,2-Dimethyl-1-(3-methylimidazol-4-yl)propan-1-ol
CID 10329713
5-(3-Hydroxypropyl)-1-methyl-2-ethylimidazole
CID 22103404
(1-Methyl-4-propan-2-ylimidazol-2-yl)methanol
CID 22440635

Frequently Asked Questions

What is the IUPAC name of 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol?
The IUPAC name of 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol (CID 91093411) is 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol is CCCC(C)Cc1cnc(C(C)CC)n1CC(O)CC.
What is the InChIKey of 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol?
The InChIKey is KPCFJNBXSQPDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-9-13(4)10-15-11-18-17(14(5)7-2)19(15)12-16(20)8-3/h11,13-14,16,20H,6-10,12H2,1-5H3.
What are the key properties of 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol?
1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol has a molecular weight of 280.46 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-butan-2-yl-5-(2-methylpentyl)imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 91093411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).