6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide

C24H16F6N4O2 — CID 71532041

IUPAC6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cc(C(=O)NCc2ccccc2C(F)(F)F)c2nc[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H16F6N4O2/c25-23(26,27)17-7-3-1-5-13(17)11-31-21(35)16-9-14(10-19-20(16)33-12-32-19)34-22(36)15-6-2-4-8-18(15)24(28,29)30/h1-10,12H,11H2,(H,31,35)(H,32,33)(H,34,36)
InChIKeyBMTCRCXHIHJYFN-UHFFFAOYSA-N
MW506.41 g/mol
LogP5.78
Rot. Bonds5

About 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide

6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 71532041) has the molecular formula C24H16F6N4O2 and a molecular weight of 506.41 g/mol. Its IUPAC name is 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
PubChem CID71532041
Molecular FormulaC24H16F6N4O2
Molecular Weight506.41 g/mol
Exact Mass506.12
IUPAC Name6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cc(C(=O)NCc2ccccc2C(F)(F)F)c2nc[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C24H16F6N4O2/c25-23(26,27)17-7-3-1-5-13(17)11-31-21(35)16-9-14(10-19-20(16)33-12-32-19)34-22(36)15-6-2-4-8-18(15)24(28,29)30/h1-10,12H,11H2,(H,31,35)(H,32,33)(H,34,36)
InChIKeyBMTCRCXHIHJYFN-UHFFFAOYSA-N
XLogP5.78
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.41
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide (CID 71532041) is 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1cc(C(=O)NCc2ccccc2C(F)(F)F)c2nc[nH]c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BMTCRCXHIHJYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N4O2/c25-23(26,27)17-7-3-1-5-13(17)11-31-21(35)16-9-14(10-19-20(16)33-12-32-19)34-22(36)15-6-2-4-8-18(15)24(28,29)30/h1-10,12H,11H2,(H,31,35)(H,32,33)(H,34,36).
What are the key properties of 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide?
6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 506.41 g/mol, XLogP of 5.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(trifluoromethyl)benzoyl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71532041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).