(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol

C12H16N2OS — CID 95126697

IUPAC(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccnc1-c1sccc1C
InChIInChI=1S/C12H16N2OS/c1-3-10(15)8-14-6-5-13-12(14)11-9(2)4-7-16-11/h4-7,10,15H,3,8H2,1-2H3/t10-/m1/s1
InChIKeyQRQKPNMURMHANE-SNVBAGLBSA-N
MW236.34 g/mol
LogP2.69
Rot. Bonds4

About (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol

(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol (PubChem CID 95126697) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
PubChem CID95126697
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccnc1-c1sccc1C
InChIInChI=1S/C12H16N2OS/c1-3-10(15)8-14-6-5-13-12(14)11-9(2)4-7-16-11/h4-7,10,15H,3,8H2,1-2H3/t10-/m1/s1
InChIKeyQRQKPNMURMHANE-SNVBAGLBSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126696
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol
CID 70771532
1-(2-methylsulfonylethyl)-2-(3-methylthiophen-2-yl)imidazole
CID 56912209
(2R)-1-[2-[4-(difluoromethoxy)phenyl]imidazol-1-yl]butan-2-ol
CID 95552944
1-chloro-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 112560248
1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
CID 70718630
3-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 56869815
N-methyl-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106577983
N-propyl-1-(2-thiophen-2-ylimidazol-1-yl)butan-2-amine
CID 62041227

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol (CID 95126697) is (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol is CC[C@@H](O)Cn1ccnc1-c1sccc1C.
What is the InChIKey of (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol?
The InChIKey is QRQKPNMURMHANE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-10(15)8-14-6-5-13-12(14)11-9(2)4-7-16-11/h4-7,10,15H,3,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol?
(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol has a molecular weight of 236.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 95126697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).