N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide

C18H16F3N3O — CID 4915116

IUPACN-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C18H16F3N3O/c1-10(2)22-17(25)12-5-3-11(4-6-12)16-23-14-8-7-13(18(19,20)21)9-15(14)24-16/h3-10H,1-2H3,(H,22,25)(H,23,24)
InChIKeyBDOZKTPQTRIOKQ-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.39
Rot. Bonds3

About N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide

N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (PubChem CID 4915116) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
PubChem CID4915116
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C18H16F3N3O/c1-10(2)22-17(25)12-5-3-11(4-6-12)16-23-14-8-7-13(18(19,20)21)9-15(14)24-16/h3-10H,1-2H3,(H,22,25)(H,23,24)
InChIKeyBDOZKTPQTRIOKQ-UHFFFAOYSA-N
XLogP4.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
CID 137187151
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
CID 135616944
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The IUPAC name of N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide (CID 4915116) is N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide.
What is the SMILES notation for N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The canonical SMILES for N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is CC(C)NC(=O)c1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
The InChIKey is BDOZKTPQTRIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-10(2)22-17(25)12-5-3-11(4-6-12)16-23-14-8-7-13(18(19,20)21)9-15(14)24-16/h3-10H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide?
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide has a molecular weight of 347.34 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide is sourced from PubChem (CID 4915116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).