2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide

C15H10F3N3O — CID 175878317

IUPAC2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)14-20-11-6-5-8(7-12(11)21-14)9-3-1-2-4-10(9)13(19)22/h1-7H,(H2,19,22)(H,20,21)
InChIKeyRARDXTRPDXOCMQ-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.35
Rot. Bonds2

About 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide

2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 175878317) has the molecular formula C15H10F3N3O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID175878317
Molecular FormulaC15H10F3N3O
Molecular Weight305.26 g/mol
Exact Mass305.08
IUPAC Name2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide
SMILESNC(=O)c1ccccc1-c1ccc2nc(C(F)(F)F)[nH]c2c1
InChIInChI=1S/C15H10F3N3O/c16-15(17,18)14-20-11-6-5-8(7-12(11)21-14)9-3-1-2-4-10(9)13(19)22/h1-7H,(H2,19,22)(H,20,21)
InChIKeyRARDXTRPDXOCMQ-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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Related Compounds

2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
2-[4-[6-(4-hydroxyphenyl)-1H-benzimidazol-2-yl]-1H-indol-6-yl]benzamide
CID 71009253
2-(trifluoromethyl)-3H-benzimidazol-5-amine;dihydrochloride
CID 6431732
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
1-[2-[2-[[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]oxymethyl]-3H-benzimidazol-5-yl]phenyl]propan-1-one
CID 143702625
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
CID 154291859
2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzamide;N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 159716444
benzoic acid;2-phenylbenzamide
CID 70205361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide (CID 175878317) is 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide is NC(=O)c1ccccc1-c1ccc2nc(C(F)(F)F)[nH]c2c1.
What is the InChIKey of 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is RARDXTRPDXOCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O/c16-15(17,18)14-20-11-6-5-8(7-12(11)21-14)9-3-1-2-4-10(9)13(19)22/h1-7H,(H2,19,22)(H,20,21).
What are the key properties of 2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide?
2-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide 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-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 175878317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).