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

C21H11Cl2F4N3O — CID 87217495

IUPAC2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H11Cl2F4N3O/c22-13-2-1-3-14(23)18(13)19-29-16-7-4-10(8-17(16)30-19)20(31)28-11-5-6-15(24)12(9-11)21(25,26)27/h1-9H,(H,28,31)(H,29,30)
InChIKeyBRMFQSQVGDBCSS-UHFFFAOYSA-N
MW468.24 g/mol
LogP6.95
Rot. Bonds3

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

2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 87217495) has the molecular formula C21H11Cl2F4N3O and a molecular weight of 468.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID87217495
Molecular FormulaC21H11Cl2F4N3O
Molecular Weight468.24 g/mol
Exact Mass467.02
IUPAC Name2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H11Cl2F4N3O/c22-13-2-1-3-14(23)18(13)19-29-16-7-4-10(8-17(16)30-19)20(31)28-11-5-6-15(24)12(9-11)21(25,26)27/h1-9H,(H,28,31)(H,29,30)
InChIKeyBRMFQSQVGDBCSS-UHFFFAOYSA-N
XLogP6.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.24
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965413
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562141
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
ethyl (E)-3-[4-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]prop-2-enoate
CID 66965564
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide (CID 87217495) is 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is BRMFQSQVGDBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F4N3O/c22-13-2-1-3-14(23)18(13)19-29-16-7-4-10(8-17(16)30-19)20(31)28-11-5-6-15(24)12(9-11)21(25,26)27/h1-9H,(H,28,31)(H,29,30).
What are the key properties of 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 468.24 g/mol, XLogP of 6.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 87217495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).