2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid

C11H6Cl2F2N2O2 — CID 66835384

IUPAC2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid
SMILESCc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(=O)O
InChIInChI=1S/C11H6Cl2F2N2O2/c1-4-8(10(18)19)17(11(13)16-4)9-6(12)2-5(14)3-7(9)15/h2-3H,1H3,(H,18,19)
InChIKeyBKNZZQQRFZNIBC-UHFFFAOYSA-N
MW307.08 g/mol
LogP3.46
Rot. Bonds2

About 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid

2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid (PubChem CID 66835384) has the molecular formula C11H6Cl2F2N2O2 and a molecular weight of 307.08 g/mol. Its IUPAC name is 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid
PubChem CID66835384
Molecular FormulaC11H6Cl2F2N2O2
Molecular Weight307.08 g/mol
Exact Mass305.98
IUPAC Name2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid
SMILESCc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(=O)O
InChIInChI=1S/C11H6Cl2F2N2O2/c1-4-8(10(18)19)17(11(13)16-4)9-6(12)2-5(14)3-7(9)15/h2-3H,1H3,(H,18,19)
InChIKeyBKNZZQQRFZNIBC-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.08
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid (CID 66835384) is 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid is Cc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(=O)O.
What is the InChIKey of 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid?
The InChIKey is BKNZZQQRFZNIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F2N2O2/c1-4-8(10(18)19)17(11(13)16-4)9-6(12)2-5(14)3-7(9)15/h2-3H,1H3,(H,18,19).
What are the key properties of 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid?
2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid has a molecular weight of 307.08 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 66835384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).