4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile

C19H8ClF3N4 — CID 139975731

IUPAC4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3nccn23)cc1
InChIInChI=1S/C19H8ClF3N4/c20-18-16(15-13(22)7-12(21)8-14(15)23)17(27-6-5-25-19(27)26-18)11-3-1-10(9-24)2-4-11/h1-8H
InChIKeyOXTGCARMMNATMN-UHFFFAOYSA-N
MW384.75 g/mol
LogP5.01
Rot. Bonds2

About 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile

4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile (PubChem CID 139975731) has the molecular formula C19H8ClF3N4 and a molecular weight of 384.75 g/mol. Its IUPAC name is 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile
PubChem CID139975731
Molecular FormulaC19H8ClF3N4
Molecular Weight384.75 g/mol
Exact Mass384.04
IUPAC Name4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile
SMILESN#Cc1ccc(-c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3nccn23)cc1
InChIInChI=1S/C19H8ClF3N4/c20-18-16(15-13(22)7-12(21)8-14(15)23)17(27-6-5-25-19(27)26-18)11-3-1-10(9-24)2-4-11/h1-8H
InChIKeyOXTGCARMMNATMN-UHFFFAOYSA-N
XLogP5.01
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.75
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-chloro-6-(2,4,6-trifluorophenyl)-N-(1-trimethylsilylethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 11350065
7-chloro-6-(2,4,6-trifluorophenyl)-N-(trimethylsilylmethyl)imidazo[1,2-a]pyrimidin-5-amine
CID 58941474
4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271229
4-imidazo[1,2-a]quinoxalin-4-ylbenzonitrile
CID 12911598
4-(4,6-difluoro-1H-benzimidazol-2-yl)benzonitrile
CID 81463475
3-(3,4-dichlorophenyl)-5-fluorobenzonitrile
CID 134623269
3-(3-chloro-5-fluorophenyl)-4-fluorobenzonitrile
CID 172915301
4-[7-methyl-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]morpholine
CID 23018314
5,7-dichloroimidazo[1,2-a]pyrimidine
CID 23125107
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
4-[4-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3,5-difluorophenyl]benzonitrile
CID 170694471
4-[8-formyl-5-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
CID 118645890

Frequently Asked Questions

What is the IUPAC name of 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile?
The IUPAC name of 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile (CID 139975731) is 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile.
What is the SMILES notation for 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile?
The canonical SMILES for 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile is N#Cc1ccc(-c2c(-c3c(F)cc(F)cc3F)c(Cl)nc3nccn23)cc1.
What is the InChIKey of 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile?
The InChIKey is OXTGCARMMNATMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H8ClF3N4/c20-18-16(15-13(22)7-12(21)8-14(15)23)17(27-6-5-25-19(27)26-18)11-3-1-10(9-24)2-4-11/h1-8H.
What are the key properties of 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile?
4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile has a molecular weight of 384.75 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-chloro-6-(2,4,6-trifluorophenyl)imidazo[1,2-a]pyrimidin-5-yl]benzonitrile is sourced from PubChem (CID 139975731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).