N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide

C25H19Cl2F3N4O3 — CID 71532255

IUPACN-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
SMILESCOCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
InChIKeyCWUCHFDQGIOAID-UHFFFAOYSA-N
MW551.35 g/mol
LogP6.85
Rot. Bonds6

About N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide

N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 71532255) has the molecular formula C25H19Cl2F3N4O3 and a molecular weight of 551.35 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
PubChem CID71532255
Molecular FormulaC25H19Cl2F3N4O3
Molecular Weight551.35 g/mol
Exact Mass550.08
IUPAC NameN-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide
SMILESCOCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1
InChIInChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35)
InChIKeyCWUCHFDQGIOAID-UHFFFAOYSA-N
XLogP6.85
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.35
LogP ≤ 56.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide (CID 71532255) is N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide is COCc1nc2c(C(=O)Nc3cccc(Cl)c3C)cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is CWUCHFDQGIOAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2F3N4O3/c1-12-16(26)6-4-8-18(12)33-23(35)14-9-13(10-19-22(14)34-20(32-19)11-37-2)31-24(36)21-15(25(28,29)30)5-3-7-17(21)27/h3-10H,11H2,1-2H3,(H,31,36)(H,32,34)(H,33,35).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide?
N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 551.35 g/mol, XLogP of 6.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-[[2-chloro-6-(trifluoromethyl)benzoyl]amino]-2-(methoxymethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71532255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).