3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide

C17H13F3N4O — CID 69464674

IUPAC3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(Nc2ncc[nH]2)c1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-8-12(15(21)25)14(10-4-2-1-3-5-10)13(9-11)24-16-22-6-7-23-16/h1-9H,(H2,21,25)(H2,22,23,24)
InChIKeyNXRNERPDVJJTOL-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.94
Rot. Bonds4

About 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide

3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide (PubChem CID 69464674) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide
PubChem CID69464674
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)cc(Nc2ncc[nH]2)c1-c1ccccc1
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)11-8-12(15(21)25)14(10-4-2-1-3-5-10)13(9-11)24-16-22-6-7-23-16/h1-9H,(H2,21,25)(H2,22,23,24)
InChIKeyNXRNERPDVJJTOL-UHFFFAOYSA-N
XLogP3.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]thiophene-3-carboxamide
CID 25127463
2-(methylamino)-5-(trifluoromethyl)benzamide
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2-phenyl-1H-pyrrole-3-carboxamide
CID 57029978
4-phenyl-2-(1H-pyrrol-2-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 175244120
2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907
3-phenyl-2-pyrimidin-2-ylpyridine-4-carboxamide
CID 146303800
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
N-(2-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 60592332
[3-pyridin-2-yl-5-(trifluoromethyl)phenyl]urea
CID 91501313
2-(1H-imidazole-2-carbonyl)benzamide
CID 607520
2-(methylamino)-3-phenyl-4-(trifluoromethyl)benzamide
CID 170343404
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide (CID 69464674) is 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)cc(Nc2ncc[nH]2)c1-c1ccccc1.
What is the InChIKey of 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide?
The InChIKey is NXRNERPDVJJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)11-8-12(15(21)25)14(10-4-2-1-3-5-10)13(9-11)24-16-22-6-7-23-16/h1-9H,(H2,21,25)(H2,22,23,24).
What are the key properties of 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide?
3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide has a molecular weight of 346.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-ylamino)-2-phenyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 69464674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).