2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine

C17H14N4OS — CID 95402547

IUPAC2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine
SMILESC[C@H](c1cccs1)n1ccnc1-c1cnc(-c2ccco2)nc1
InChIInChI=1S/C17H14N4OS/c1-12(15-5-3-9-23-15)21-7-6-18-17(21)13-10-19-16(20-11-13)14-4-2-8-22-14/h2-12H,1H3/t12-/m1/s1
InChIKeyUPTMANJNCBDJQA-GFCCVEGCSA-N
MW322.39 g/mol
LogP4.27
Rot. Bonds4

About 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine

2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine (PubChem CID 95402547) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine
PubChem CID95402547
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine
SMILESC[C@H](c1cccs1)n1ccnc1-c1cnc(-c2ccco2)nc1
InChIInChI=1S/C17H14N4OS/c1-12(15-5-3-9-23-15)21-7-6-18-17(21)13-10-19-16(20-11-13)14-4-2-8-22-14/h2-12H,1H3/t12-/m1/s1
InChIKeyUPTMANJNCBDJQA-GFCCVEGCSA-N
XLogP4.27
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine
CID 56903232
2-(furan-2-yl)-1-[(2R)-1-thiophen-3-ylpropan-2-yl]imidazole
CID 95559159
N-(furan-2-ylmethyl)-2-(2-thiophen-2-ylimidazol-1-yl)propan-1-amine
CID 62565146
1-[1-[2-(furan-2-yl)imidazol-1-yl]ethyl]cyclopropan-1-ol
CID 155918481
(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 94587547
1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 62771891
(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431623
3-pyridin-3-yl-5-[(1R)-1-(2-pyridin-4-ylimidazol-1-yl)ethyl]-1,2,4-oxadiazole
CID 95545239
2-phenyl-1-propan-2-ylimidazole
CID 12997870
formic acid;3-[1-(2-thiophen-2-ylimidazol-1-yl)ethyl]pyridine
CID 163338192
(1S)-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 81398838
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-1-thiophen-2-ylethanamine
CID 43770265

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine (CID 95402547) is 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine is C[C@H](c1cccs1)n1ccnc1-c1cnc(-c2ccco2)nc1.
What is the InChIKey of 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine?
The InChIKey is UPTMANJNCBDJQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-12(15-5-3-9-23-15)21-7-6-18-17(21)13-10-19-16(20-11-13)14-4-2-8-22-14/h2-12H,1H3/t12-/m1/s1.
What are the key properties of 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine?
2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine has a molecular weight of 322.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[1-[(1R)-1-thiophen-2-ylethyl]imidazol-2-yl]pyrimidine is sourced from PubChem (CID 95402547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).