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

C15H10F3N3O — CID 10804503

IUPAC2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
InChIKeyNTGUQSZMGNQYBK-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.35
Rot. Bonds2

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

2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 10804503) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID10804503
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21)
InChIKeyNTGUQSZMGNQYBK-UHFFFAOYSA-N
XLogP3.35
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 10804503) is 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is NTGUQSZMGNQYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)9-6-4-8(5-7-9)14-20-11-3-1-2-10(13(19)22)12(11)21-14/h1-7H,(H2,19,22)(H,20,21).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 305.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 10804503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).