N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C22H13Cl3F3N3O — CID 58562141

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C22H13Cl3F3N3O/c23-15-2-1-3-16(24)13(15)10-20-30-18-7-4-11(8-19(18)31-20)21(32)29-12-5-6-17(25)14(9-12)22(26,27)28/h1-9H,10H2,(H,29,32)(H,30,31)
InChIKeyOYIFSZWXANRITD-UHFFFAOYSA-N
MW498.72 g/mol
LogP7.39
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 58562141) has the molecular formula C22H13Cl3F3N3O and a molecular weight of 498.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID58562141
Molecular FormulaC22H13Cl3F3N3O
Molecular Weight498.72 g/mol
Exact Mass497.01
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C22H13Cl3F3N3O/c23-15-2-1-3-16(24)13(15)10-20-30-18-7-4-11(8-19(18)31-20)21(32)29-12-5-6-17(25)14(9-12)22(26,27)28/h1-9H,10H2,(H,29,32)(H,30,31)
InChIKeyOYIFSZWXANRITD-UHFFFAOYSA-N
XLogP7.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.72
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 58562141) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OYIFSZWXANRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3F3N3O/c23-15-2-1-3-16(24)13(15)10-20-30-18-7-4-11(8-19(18)31-20)21(32)29-12-5-6-17(25)14(9-12)22(26,27)28/h1-9H,10H2,(H,29,32)(H,30,31).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 498.72 g/mol, XLogP of 7.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).