1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol

C13H16N2OS — CID 66141448

IUPAC1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cncn1C1CC1
InChIInChI=1S/C13H16N2OS/c16-13(6-5-11-2-1-7-17-11)12-8-14-9-15(12)10-3-4-10/h1-2,7-10,13,16H,3-6H2
InChIKeyVCCPGQZLRGOVNP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.95
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol

1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol (PubChem CID 66141448) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
PubChem CID66141448
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
SMILESOC(CCc1cccs1)c1cncn1C1CC1
InChIInChI=1S/C13H16N2OS/c16-13(6-5-11-2-1-7-17-11)12-8-14-9-15(12)10-3-4-10/h1-2,7-10,13,16H,3-6H2
InChIKeyVCCPGQZLRGOVNP-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopropylimidazol-4-yl)-2-thiophen-2-ylethanol
CID 66139860
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909
1-(5-methyl-3-pyridinyl)-3-thiophen-2-ylpropan-1-ol
CID 105099292
1-(1-methylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 107978387
1-(oxan-4-yl)-3-thiophen-2-ylpropan-1-ol
CID 65150255
1-(thiolan-2-yl)-3-thiophen-2-ylpropan-1-ol
CID 80623136
4-amino-3-(3-cyclopropylimidazol-4-yl)pentan-1-ol
CID 66140672
3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
CID 79126294

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol (CID 66141448) is 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol is OC(CCc1cccs1)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
The InChIKey is VCCPGQZLRGOVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-13(6-5-11-2-1-7-17-11)12-8-14-9-15(12)10-3-4-10/h1-2,7-10,13,16H,3-6H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol?
1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-3-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 66141448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).