2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C38H31F3N10O2 — CID 69439298

IUPAC2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(-n2ccc(NC(=O)Cn3cnc4ccccc43)n2)c1.O=C(Cn1cnc2ccccc21)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N5O.C19H17N5O/c20-19(21,22)13-5-7-14(8-6-13)27-10-9-17(25-27)24-18(28)11-26-12-23-15-3-1-2-4-16(15)26;1-14-5-4-6-15(11-14)24-10-9-18(22-24)21-19(25)12-23-13-20-16-7-2-3-8-17(16)23/h1-10,12H,11H2,(H,24,25,28);2-11,13H,12H2,1H3,(H,21,22,25)
InChIKeyKQYWAUQEXNBYHT-UHFFFAOYSA-N
MW716.73 g/mol
LogP7.05
Rot. Bonds8

About 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 69439298) has the molecular formula C38H31F3N10O2 and a molecular weight of 716.73 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID69439298
Molecular FormulaC38H31F3N10O2
Molecular Weight716.73 g/mol
Exact Mass716.26
IUPAC Name2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cccc(-n2ccc(NC(=O)Cn3cnc4ccccc43)n2)c1.O=C(Cn1cnc2ccccc21)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H14F3N5O.C19H17N5O/c20-19(21,22)13-5-7-14(8-6-13)27-10-9-17(25-27)24-18(28)11-26-12-23-15-3-1-2-4-16(15)26;1-14-5-4-6-15(11-14)24-10-9-18(22-24)21-19(25)12-23-13-20-16-7-2-3-8-17(16)23/h1-10,12H,11H2,(H,24,25,28);2-11,13H,12H2,1H3,(H,21,22,25)
InChIKeyKQYWAUQEXNBYHT-UHFFFAOYSA-N
XLogP7.05
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.73
LogP ≤ 57.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 69439298) is 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is Cc1cccc(-n2ccc(NC(=O)Cn3cnc4ccccc43)n2)c1.O=C(Cn1cnc2ccccc21)Nc1ccn(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is KQYWAUQEXNBYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O.C19H17N5O/c20-19(21,22)13-5-7-14(8-6-13)27-10-9-17(25-27)24-18(28)11-26-12-23-15-3-1-2-4-16(15)26;1-14-5-4-6-15(11-14)24-10-9-18(22-24)21-19(25)12-23-13-20-16-7-2-3-8-17(16)23/h1-10,12H,11H2,(H,24,25,28);2-11,13H,12H2,1H3,(H,21,22,25).
What are the key properties of 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 716.73 g/mol, XLogP of 7.05, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide;2-(benzimidazol-1-yl)-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 69439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).