7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide

C23H16ClF2N5O2 — CID 69473169

IUPAC7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
SMILESCc1nc2c(o1)c(C(=O)Nc1ccc(F)c(C)c1)cc1[nH]c(Nc3c(F)cccc3Cl)nc12
InChIInChI=1S/C23H16ClF2N5O2/c1-10-8-12(6-7-15(10)25)28-22(32)13-9-17-19(20-21(13)33-11(2)27-20)31-23(29-17)30-18-14(24)4-3-5-16(18)26/h3-9H,1-2H3,(H,28,32)(H2,29,30,31)
InChIKeyINFGGLKVTHHNBL-UHFFFAOYSA-N
MW467.86 g/mol
LogP6.25
Rot. Bonds4

About 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide

7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide (PubChem CID 69473169) has the molecular formula C23H16ClF2N5O2 and a molecular weight of 467.86 g/mol. Its IUPAC name is 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide.

Molecular Properties

Compound Name7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
PubChem CID69473169
Molecular FormulaC23H16ClF2N5O2
Molecular Weight467.86 g/mol
Exact Mass467.10
IUPAC Name7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
SMILESCc1nc2c(o1)c(C(=O)Nc1ccc(F)c(C)c1)cc1[nH]c(Nc3c(F)cccc3Cl)nc12
InChIInChI=1S/C23H16ClF2N5O2/c1-10-8-12(6-7-15(10)25)28-22(32)13-9-17-19(20-21(13)33-11(2)27-20)31-23(29-17)30-18-14(24)4-3-5-16(18)26/h3-9H,1-2H3,(H,28,32)(H2,29,30,31)
InChIKeyINFGGLKVTHHNBL-UHFFFAOYSA-N
XLogP6.25
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.86
LogP ≤ 56.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
The IUPAC name of 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide (CID 69473169) is 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide.
What is the SMILES notation for 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
The canonical SMILES for 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide is Cc1nc2c(o1)c(C(=O)Nc1ccc(F)c(C)c1)cc1[nH]c(Nc3c(F)cccc3Cl)nc12.
What is the InChIKey of 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
The InChIKey is INFGGLKVTHHNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N5O2/c1-10-8-12(6-7-15(10)25)28-22(32)13-9-17-19(20-21(13)33-11(2)27-20)31-23(29-17)30-18-14(24)4-3-5-16(18)26/h3-9H,1-2H3,(H,28,32)(H2,29,30,31).
What are the key properties of 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide has a molecular weight of 467.86 g/mol, XLogP of 6.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-6-fluoroanilino)-N-(4-fluoro-3-methylphenyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide is sourced from PubChem (CID 69473169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).