2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide

C21H14Cl2F3N5O — CID 67231867

IUPAC2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)n1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H14Cl2F3N5O/c22-13-4-2-5-14(23)18(13)31-20-29-15-8-7-11(9-16(15)30-20)19(32)27-10-12-3-1-6-17(28-12)21(24,25)26/h1-9H,10H2,(H,27,32)(H2,29,30,31)
InChIKeyJHMOCLPDCHEZJV-UHFFFAOYSA-N
MW480.28 g/mol
LogP5.96
Rot. Bonds5

About 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 67231867) has the molecular formula C21H14Cl2F3N5O and a molecular weight of 480.28 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID67231867
Molecular FormulaC21H14Cl2F3N5O
Molecular Weight480.28 g/mol
Exact Mass479.05
IUPAC Name2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)n1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H14Cl2F3N5O/c22-13-4-2-5-14(23)18(13)31-20-29-15-8-7-11(9-16(15)30-20)19(32)27-10-12-3-1-6-17(28-12)21(24,25)26/h1-9H,10H2,(H,27,32)(H2,29,30,31)
InChIKeyJHMOCLPDCHEZJV-UHFFFAOYSA-N
XLogP5.96
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.28
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
2-(2,6-dichloroanilino)-N-[4-(trifluoromethyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 45137916
N-(3-bromophenyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 45138811
2-(2,6-dichloroanilino)-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-imidazo[4,5-c]pyridine-6-carboxamide
CID 45137973
2-(2,6-dichloroanilino)-N-(6,7-dihydro-1H-benzimidazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 90736029
2-(3-methyl-2-oxobutyl)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 160568644
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide;cyclobutanamine
CID 143961942
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 175710035
2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
CID 70897211
4-[[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 154862991
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
N-(3-methylbutyl)-3-[2-[[4-(trifluoromethyl)benzoyl]amino]-3H-benzimidazol-5-yl]benzamide
CID 168873259

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide (CID 67231867) is 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide is O=C(NCc1cccc(C(F)(F)F)n1)c1ccc2nc(Nc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is JHMOCLPDCHEZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3N5O/c22-13-4-2-5-14(23)18(13)31-20-29-15-8-7-11(9-16(15)30-20)19(32)27-10-12-3-1-6-17(28-12)21(24,25)26/h1-9H,10H2,(H,27,32)(H2,29,30,31).
What are the key properties of 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 480.28 g/mol, XLogP of 5.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 67231867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).