8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid

C20H14ClFN2O2 — CID 176552138

IUPAC8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=CC2
InChIInChI=1S/C20H14ClFN2O2/c1-11-19(20(25)26)23-18-9-7-13(14-4-2-3-5-16(14)22)15-10-12(21)6-8-17(15)24(11)18/h2-8,10H,9H2,1H3,(H,25,26)
InChIKeyWXIWFNRLVCCPOZ-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.66
Rot. Bonds2

About 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid

8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid (PubChem CID 176552138) has the molecular formula C20H14ClFN2O2 and a molecular weight of 368.80 g/mol. Its IUPAC name is 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid.

Molecular Properties

Compound Name8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid
PubChem CID176552138
Molecular FormulaC20H14ClFN2O2
Molecular Weight368.80 g/mol
Exact Mass368.07
IUPAC Name8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid
SMILESCc1c(C(=O)O)nc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=CC2
InChIInChI=1S/C20H14ClFN2O2/c1-11-19(20(25)26)23-18-9-7-13(14-4-2-3-5-16(14)22)15-10-12(21)6-8-17(15)24(11)18/h2-8,10H,9H2,1H3,(H,25,26)
InChIKeyWXIWFNRLVCCPOZ-UHFFFAOYSA-N
XLogP4.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[[8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[4,3-a][1]benzazepin-1-yl]methyl]carbamate
CID 56626850
[8-chloro-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1]benzazepin-1-yl]methanol
CID 171148537
8-chloro-6-(2-fluorophenyl)-N,N,1-trimethyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12801958
8-chloro-6-(2-fluorophenyl)-2-methyl-4H-imidazo[1,2-a][1,4]benzodiazepine-1-carbaldehyde
CID 88841771
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 10359044
2-(2-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxylic acid
CID 131987836
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
CID 174651933
5-(2-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylic acid
CID 105494099
1-[2-(2,5-dichlorophenyl)phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 69124480
5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 67954123
8-chloro-6-(2,3-difluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepine-2-carboxylic acid
CID 176552131
8-chloro-1-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 12802015

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid?
The IUPAC name of 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid (CID 176552138) is 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid.
What is the SMILES notation for 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid?
The canonical SMILES for 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid is Cc1c(C(=O)O)nc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=CC2.
What is the InChIKey of 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid?
The InChIKey is WXIWFNRLVCCPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2/c1-11-19(20(25)26)23-18-9-7-13(14-4-2-3-5-16(14)22)15-10-12(21)6-8-17(15)24(11)18/h2-8,10H,9H2,1H3,(H,25,26).
What are the key properties of 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid?
8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid has a molecular weight of 368.80 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,2-a][1]benzazepine-2-carboxylic acid is sourced from PubChem (CID 176552138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).