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

C37H29F3N10O2 — CID 69436169

IUPAC2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1.O=C(Cn1cnc2ccccc21)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H14F3N5O.C18H15N5O/c20-19(21,22)13-4-3-5-14(10-13)27-9-8-17(25-27)24-18(28)11-26-12-23-15-6-1-2-7-16(15)26;24-18(12-22-13-19-15-8-4-5-9-16(15)22)20-17-10-11-23(21-17)14-6-2-1-3-7-14/h1-10,12H,11H2,(H,24,25,28);1-11,13H,12H2,(H,20,21,24)
InChIKeyBRKYILZDKFXHQF-UHFFFAOYSA-N
MW702.70 g/mol
LogP6.74
Rot. Bonds8

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

2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 69436169) has the molecular formula C37H29F3N10O2 and a molecular weight of 702.70 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID69436169
Molecular FormulaC37H29F3N10O2
Molecular Weight702.70 g/mol
Exact Mass702.24
IUPAC Name2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1.O=C(Cn1cnc2ccccc21)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C19H14F3N5O.C18H15N5O/c20-19(21,22)13-4-3-5-14(10-13)27-9-8-17(25-27)24-18(28)11-26-12-23-15-6-1-2-7-16(15)26;24-18(12-22-13-19-15-8-4-5-9-16(15)22)20-17-10-11-23(21-17)14-6-2-1-3-7-14/h1-10,12H,11H2,(H,24,25,28);1-11,13H,12H2,(H,20,21,24)
InChIKeyBRKYILZDKFXHQF-UHFFFAOYSA-N
XLogP6.74
TPSA129.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.70
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 69436169) is 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is O=C(Cn1cnc2ccccc21)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1.O=C(Cn1cnc2ccccc21)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is BRKYILZDKFXHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O.C18H15N5O/c20-19(21,22)13-4-3-5-14(10-13)27-9-8-17(25-27)24-18(28)11-26-12-23-15-6-1-2-7-16(15)26;24-18(12-22-13-19-15-8-4-5-9-16(15)22)20-17-10-11-23(21-17)14-6-2-1-3-7-14/h1-10,12H,11H2,(H,24,25,28);1-11,13H,12H2,(H,20,21,24).
What are the key properties of 2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-(benzimidazol-1-yl)-N-(1-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 702.70 g/mol, XLogP of 6.74, 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-phenylpyrazol-3-yl)acetamide;2-(benzimidazol-1-yl)-N-[1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 69436169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).