7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide

C22H19Cl2F2N5O2 — CID 67503605

IUPAC7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
SMILESCc1nc2c(o1)c(C(=O)NC1CCC(F)(F)CC1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C22H19Cl2F2N5O2/c1-10-27-18-17-15(29-21(31-17)30-16-13(23)3-2-4-14(16)24)9-12(19(18)33-10)20(32)28-11-5-7-22(25,26)8-6-11/h2-4,9,11H,5-8H2,1H3,(H,28,32)(H2,29,30,31)
InChIKeyLUEBSNDJTOYKOQ-UHFFFAOYSA-N
MW494.33 g/mol
LogP6.37
Rot. Bonds4

About 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide

7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide (PubChem CID 67503605) has the molecular formula C22H19Cl2F2N5O2 and a molecular weight of 494.33 g/mol. Its IUPAC name is 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide.

Molecular Properties

Compound Name7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
PubChem CID67503605
Molecular FormulaC22H19Cl2F2N5O2
Molecular Weight494.33 g/mol
Exact Mass493.09
IUPAC Name7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide
SMILESCc1nc2c(o1)c(C(=O)NC1CCC(F)(F)CC1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12
InChIInChI=1S/C22H19Cl2F2N5O2/c1-10-27-18-17-15(29-21(31-17)30-16-13(23)3-2-4-14(16)24)9-12(19(18)33-10)20(32)28-11-5-7-22(25,26)8-6-11/h2-4,9,11H,5-8H2,1H3,(H,28,32)(H2,29,30,31)
InChIKeyLUEBSNDJTOYKOQ-UHFFFAOYSA-N
XLogP6.37
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.33
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
The IUPAC name of 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide (CID 67503605) is 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide.
What is the SMILES notation for 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
The canonical SMILES for 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide is Cc1nc2c(o1)c(C(=O)NC1CCC(F)(F)CC1)cc1[nH]c(Nc3c(Cl)cccc3Cl)nc12.
What is the InChIKey of 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
The InChIKey is LUEBSNDJTOYKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F2N5O2/c1-10-27-18-17-15(29-21(31-17)30-16-13(23)3-2-4-14(16)24)9-12(19(18)33-10)20(32)28-11-5-7-22(25,26)8-6-11/h2-4,9,11H,5-8H2,1H3,(H,28,32)(H2,29,30,31).
What are the key properties of 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide?
7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide has a molecular weight of 494.33 g/mol, XLogP of 6.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dichloroanilino)-N-(4,4-difluorocyclohexyl)-2-methyl-6H-imidazo[4,5-e][1,3]benzoxazole-4-carboxamide is sourced from PubChem (CID 67503605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).