2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol

C16H18N2O2S — CID 70771532

IUPAC2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol
SMILESCc1ccsc1-c1nccn1CC(CO)Cc1ccco1
InChIInChI=1S/C16H18N2O2S/c1-12-4-8-21-15(12)16-17-5-6-18(16)10-13(11-19)9-14-3-2-7-20-14/h2-8,13,19H,9-11H2,1H3
InChIKeyZSMOBYFWNBWPMQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.36
Rot. Bonds6

About 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol

2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol (PubChem CID 70771532) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol
PubChem CID70771532
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol
SMILESCc1ccsc1-c1nccn1CC(CO)Cc1ccco1
InChIInChI=1S/C16H18N2O2S/c1-12-4-8-21-15(12)16-17-5-6-18(16)10-13(11-19)9-14-3-2-7-20-14/h2-8,13,19H,9-11H2,1H3
InChIKeyZSMOBYFWNBWPMQ-UHFFFAOYSA-N
XLogP3.36
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
CID 70776350
(2R)-2-(furan-2-ylmethyl)-3-(2-pyridin-2-ylimidazol-1-yl)propan-1-ol
CID 96580323
(2R)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126697
(2S)-1-[2-(3-methylthiophen-2-yl)imidazol-1-yl]butan-2-ol
CID 95126696
(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
CID 95873065
1-(2-methylsulfonylethyl)-2-(3-methylthiophen-2-yl)imidazole
CID 56912209
2-(furan-2-ylmethyl)-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 137335518
2-(furan-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 105029463
2-(2-ethylbutyl)furan
CID 68844643
2-(furan-2-ylmethyl)-3-(4-methylphenoxy)propan-1-ol
CID 117246279
N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
CID 62565146
5-[[2-(3-methylthiophen-2-yl)imidazol-1-yl]methyl]-1-phenyltetrazole
CID 70718630

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol?
The IUPAC name of 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol (CID 70771532) is 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol.
What is the SMILES notation for 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol?
The canonical SMILES for 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol is Cc1ccsc1-c1nccn1CC(CO)Cc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol?
The InChIKey is ZSMOBYFWNBWPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-4-8-21-15(12)16-17-5-6-18(16)10-13(11-19)9-14-3-2-7-20-14/h2-8,13,19H,9-11H2,1H3.
What are the key properties of 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol?
2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol has a molecular weight of 302.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-3-[2-(3-methylthiophen-2-yl)imidazol-1-yl]propan-1-ol is sourced from PubChem (CID 70771532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).