6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide

C16H8ClF6N3O — CID 44536362

IUPAC6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C16H8ClF6N3O/c17-8-5-10(12-11(6-8)25-14(26-12)16(21,22)23)13(27)24-9-3-1-7(2-4-9)15(18,19)20/h1-6H,(H,24,27)(H,25,26)
InChIKeyMWNNIGRGNSXNEA-UHFFFAOYSA-N
MW407.70 g/mol
LogP5.51
Rot. Bonds2

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

6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44536362) has the molecular formula C16H8ClF6N3O and a molecular weight of 407.70 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID44536362
Molecular FormulaC16H8ClF6N3O
Molecular Weight407.70 g/mol
Exact Mass407.03
IUPAC Name6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12
InChIInChI=1S/C16H8ClF6N3O/c17-8-5-10(12-11(6-8)25-14(26-12)16(21,22)23)13(27)24-9-3-1-7(2-4-9)15(18,19)20/h1-6H,(H,24,27)(H,25,26)
InChIKeyMWNNIGRGNSXNEA-UHFFFAOYSA-N
XLogP5.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 44536362) is 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc2[nH]c(C(F)(F)F)nc12.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is MWNNIGRGNSXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF6N3O/c17-8-5-10(12-11(6-8)25-14(26-12)16(21,22)23)13(27)24-9-3-1-7(2-4-9)15(18,19)20/h1-6H,(H,24,27)(H,25,26).
What are the key properties of 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 407.70 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44536362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).