N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide

C23H16F3N5O2 — CID 55650953

IUPACN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C23H16F3N5O2/c24-23(25,26)15-8-9-20-19(13-15)27-22(30(20)14-17-7-4-12-33-17)28-21(32)18-10-11-31(29-18)16-5-2-1-3-6-16/h1-13H,14H2,(H,27,28,32)
InChIKeyYPWYGSFGPHPSGZ-UHFFFAOYSA-N
MW451.41 g/mol
LogP5.13
Rot. Bonds5

About N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide

N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55650953) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
PubChem CID55650953
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC NameN-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C23H16F3N5O2/c24-23(25,26)15-8-9-20-19(13-15)27-22(30(20)14-17-7-4-12-33-17)28-21(32)18-10-11-31(29-18)16-5-2-1-3-6-16/h1-13H,14H2,(H,27,28,32)
InChIKeyYPWYGSFGPHPSGZ-UHFFFAOYSA-N
XLogP5.13
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.41
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide (CID 55650953) is N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide is O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is YPWYGSFGPHPSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c24-23(25,26)15-8-9-20-19(13-15)27-22(30(20)14-17-7-4-12-33-17)28-21(32)18-10-11-31(29-18)16-5-2-1-3-6-16/h1-13H,14H2,(H,27,28,32).
What are the key properties of N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide?
N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 451.41 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55650953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).