1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol

C15H22N2OS — CID 20572850

IUPAC1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol
SMILESCC(C)CCc1ccsc1C(C(C)O)n1ccnc1
InChIInChI=1S/C15H22N2OS/c1-11(2)4-5-13-6-9-19-15(13)14(12(3)18)17-8-7-16-10-17/h6-12,14,18H,4-5H2,1-3H3
InChIKeyJQBPYYCWRJFYJD-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.50
Rot. Bonds6

About 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol

1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol (PubChem CID 20572850) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol
PubChem CID20572850
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol
SMILESCC(C)CCc1ccsc1C(C(C)O)n1ccnc1
InChIInChI=1S/C15H22N2OS/c1-11(2)4-5-13-6-9-19-15(13)14(12(3)18)17-8-7-16-10-17/h6-12,14,18H,4-5H2,1-3H3
InChIKeyJQBPYYCWRJFYJD-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Imidazoleethanol, alpha-(p-isopentylthiophenyl)-
CID 156267
1-Imidazoleethanol, alpha-(p-propylthiophenyl)-
CID 3057198
1-Imidazoleethanol, alpha-(p-isopropylthiophenyl)-
CID 3057199
1-Imidazoleethanol, alpha-(p-butylthiophenyl)-
CID 3057200
(1-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-2-yl)methanol
CID 56879472
{(2S,4R)-4-[2-(5-isobutyl-2-thienyl)-1H-imidazol-1-yl]-1-methylpyrrolidin-2-yl}methanol
CID 70722945
(2S)-2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-3-thiophen-2-ylpropan-1-ol
CID 96577477
3-[5-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-3-thienyl]prop-2-yn-1-ol
CID 131891412
2-[(5-Cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 131950135
2-(3-Methylthiophen-2-yl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-ylamino)ethanol
CID 136551324
(1S)-3-(3-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-3-imidazol-1-ylpropan-1-ol
CID 130360707
2-[5-(2,2-difluoroethyl)-2-[(2S,4S)-2,4-dimethyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]thiophen-3-yl]ethanol
CID 169140537

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol?
The IUPAC name of 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol (CID 20572850) is 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol is CC(C)CCc1ccsc1C(C(C)O)n1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol?
The InChIKey is JQBPYYCWRJFYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-11(2)4-5-13-6-9-19-15(13)14(12(3)18)17-8-7-16-10-17/h6-12,14,18H,4-5H2,1-3H3.
What are the key properties of 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol?
1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol has a molecular weight of 278.42 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-1-[3-(3-methylbutyl)thiophen-2-yl]propan-2-ol is sourced from PubChem (CID 20572850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).