1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate

C20H16F2N4O2 — CID 55668825

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate
SMILESCC(OC(=O)c1ccn(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H16F2N4O2/c1-13(18-23-15-9-5-6-10-17(15)26(18)20(21)22)28-19(27)16-11-12-25(24-16)14-7-3-2-4-8-14/h2-13,20H,1H3
InChIKeyRIZGZMNIUVXXMP-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.54
Rot. Bonds5

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate (PubChem CID 55668825) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate
PubChem CID55668825
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate
SMILESCC(OC(=O)c1ccn(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C20H16F2N4O2/c1-13(18-23-15-9-5-6-10-17(15)26(18)20(21)22)28-19(27)16-11-12-25(24-16)14-7-3-2-4-8-14/h2-13,20H,1H3
InChIKeyRIZGZMNIUVXXMP-UHFFFAOYSA-N
XLogP4.54
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate (CID 55668825) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate is CC(OC(=O)c1ccn(-c2ccccc2)n1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate?
The InChIKey is RIZGZMNIUVXXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-13(18-23-15-9-5-6-10-17(15)26(18)20(21)22)28-19(27)16-11-12-25(24-16)14-7-3-2-4-8-14/h2-13,20H,1H3.
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate has a molecular weight of 382.37 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 55668825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).