3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

C18H14N4OS — CID 53183401

IUPAC3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3c(n2)N(C(=O)c2ccsc2)CCC3)c1
InChIInChI=1S/C18H14N4OS/c19-10-13-3-1-4-14(9-13)16-11-21-6-2-7-22(18(21)20-16)17(23)15-5-8-24-12-15/h1,3-5,8-9,11-12H,2,6-7H2
InChIKeyFQGYOYPTHMCDFW-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.53
Rot. Bonds2

About 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile

3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile (PubChem CID 53183401) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
PubChem CID53183401
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2cn3c(n2)N(C(=O)c2ccsc2)CCC3)c1
InChIInChI=1S/C18H14N4OS/c19-10-13-3-1-4-14(9-13)16-11-21-6-2-7-22(18(21)20-16)17(23)15-5-8-24-12-15/h1,3-5,8-9,11-12H,2,6-7H2
InChIKeyFQGYOYPTHMCDFW-UHFFFAOYSA-N
XLogP3.53
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[8-(thiophene-2-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
CID 53183389
3-[8-(cyclobutanecarbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile
CID 53183394
3-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 156518211
3-(2-chloro-1,3-thiazol-4-yl)benzonitrile
CID 63990563
2-(3-cyanophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 63991934
3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 113233875
3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
CID 46835564
N-(2-methoxyethyl)-2-phenyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidine-8-carboxamide
CID 53183417
fluoro 3-(3-cyanophenyl)pyrrolo[1,2-a]pyrazine-1-carboxylate
CID 153350480
3-(2-phenyl-1,3-thiazol-4-yl)benzonitrile
CID 55219786
3-[1-methyl-4-[2-(1-methylpyrazol-4-yl)-2-(thiophen-3-ylmethylamino)acetyl]pyrrol-3-yl]benzonitrile
CID 122606987
3-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile;hydrochloride
CID 24737302

Frequently Asked Questions

What is the IUPAC name of 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
The IUPAC name of 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile (CID 53183401) is 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile.
What is the SMILES notation for 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
The canonical SMILES for 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile is N#Cc1cccc(-c2cn3c(n2)N(C(=O)c2ccsc2)CCC3)c1.
What is the InChIKey of 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
The InChIKey is FQGYOYPTHMCDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c19-10-13-3-1-4-14(9-13)16-11-21-6-2-7-22(18(21)20-16)17(23)15-5-8-24-12-15/h1,3-5,8-9,11-12H,2,6-7H2.
What are the key properties of 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile?
3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile has a molecular weight of 334.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(thiophene-3-carbonyl)-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-2-yl]benzonitrile is sourced from PubChem (CID 53183401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).