N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide

C16H12F3N3O — CID 110728545

IUPACN-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1cnc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H12F3N3O/c1-22-9-20-13-8-12(6-7-14(13)22)21-15(23)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyDDEQROKSRWVONE-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.84
Rot. Bonds2

About N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide

N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide (PubChem CID 110728545) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
PubChem CID110728545
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC NameN-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
SMILESCn1cnc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21
InChIInChI=1S/C16H12F3N3O/c1-22-9-20-13-8-12(6-7-14(13)22)21-15(23)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,21,23)
InChIKeyDDEQROKSRWVONE-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
(1-methylbenzimidazol-5-yl)urea
CID 12521213
1-methyl-N-[2-(trifluoromethyl)phenyl]benzimidazole-5-carboxamide
CID 110692630
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(1-methylbenzimidazol-5-yl)-2-oxopropanamide
CID 115175378
3-(dimethylamino)-2,2-difluoro-N-(1-methylbenzimidazol-5-yl)propanamide
CID 166390713
3-cyano-N-(1-methylbenzimidazol-5-yl)benzamide
CID 110728522
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
1-(1-methylbenzimidazol-5-yl)ethanone
CID 39103959
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508

Frequently Asked Questions

What is the IUPAC name of N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide (CID 110728545) is N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide is Cn1cnc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21.
What is the InChIKey of N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is DDEQROKSRWVONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-22-9-20-13-8-12(6-7-14(13)22)21-15(23)10-2-4-11(5-3-10)16(17,18)19/h2-9H,1H3,(H,21,23).
What are the key properties of N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide?
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 319.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 110728545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).