6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide

C22H14ClF3N6O — CID 59522614

IUPAC6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1Cl
InChIInChI=1S/C22H14ClF3N6O/c23-15-9-19-18(30-21(31-19)29-16-4-2-1-3-14(16)22(24,25)26)8-13(15)20(33)28-12-6-5-11-10-27-32-17(11)7-12/h1-10H,(H,27,32)(H,28,33)(H2,29,30,31)
InChIKeyDSOPOVSYHDJPMR-UHFFFAOYSA-N
MW470.84 g/mol
LogP6.11
Rot. Bonds4

About 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide

6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide (PubChem CID 59522614) has the molecular formula C22H14ClF3N6O and a molecular weight of 470.84 g/mol. Its IUPAC name is 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide
PubChem CID59522614
Molecular FormulaC22H14ClF3N6O
Molecular Weight470.84 g/mol
Exact Mass470.09
IUPAC Name6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1Cl
InChIInChI=1S/C22H14ClF3N6O/c23-15-9-19-18(30-21(31-19)29-16-4-2-1-3-14(16)22(24,25)26)8-13(15)20(33)28-12-6-5-11-10-27-32-17(11)7-12/h1-10H,(H,27,32)(H,28,33)(H2,29,30,31)
InChIKeyDSOPOVSYHDJPMR-UHFFFAOYSA-N
XLogP6.11
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.84
LogP ≤ 56.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-3H-benzimidazole-5-carboxamide
CID 59522569
6-[bis(2-methylpropyl)amino]-2-[2-(1,1-difluoroethyl)anilino]-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 143527196
2-[2-(1,1-difluoroethyl)anilino]-6-(3,5-dimethylpiperazin-1-yl)-N-(1H-indazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 143527229
2-[2-(1,1-difluoroethyl)anilino]-N-(1H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)-3H-benzimidazole-5-carboxamide
CID 143527199
N-[2-(2-propan-2-ylanilino)-3H-benzimidazol-5-yl]-1H-indazole-6-carboxamide
CID 59522562
N-(1H-indazol-6-yl)quinoline-4-carboxamide
CID 110694915
5-N-(2-methoxyethyl)-2-N-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-2,5-diamine
CID 141181204
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781
N-(4-chloro-3-fluorophenyl)-2-(2,6-dichloroanilino)-6-fluoro-1H-benzimidazole-5-carboxamide
CID 45137009
N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112820316
N-(1H-indazol-6-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 2445030
2,3-difluoro-N-(1H-indazol-6-yl)pyridine-4-carboxamide
CID 105380728

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide?
The IUPAC name of 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide (CID 59522614) is 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc2nc(Nc3ccccc3C(F)(F)F)[nH]c2cc1Cl.
What is the InChIKey of 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide?
The InChIKey is DSOPOVSYHDJPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N6O/c23-15-9-19-18(30-21(31-19)29-16-4-2-1-3-14(16)22(24,25)26)8-13(15)20(33)28-12-6-5-11-10-27-32-17(11)7-12/h1-10H,(H,27,32)(H,28,33)(H2,29,30,31).
What are the key properties of 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide?
6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide has a molecular weight of 470.84 g/mol, XLogP of 6.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1H-indazol-6-yl)-2-[2-(trifluoromethyl)anilino]-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 59522614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).