1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate

C18H14F2N4O2 — CID 71898644

IUPAC1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate
SMILESCC(OC(=O)c1ccc2[nH]ncc2c1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C18H14F2N4O2/c1-10(16-22-14-4-2-3-5-15(14)24(16)18(19)20)26-17(25)11-6-7-13-12(8-11)9-21-23-13/h2-10,18H,1H3,(H,21,23)
InChIKeyAWOZHHVRHBCMTR-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.23
Rot. Bonds4

About 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate

1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate (PubChem CID 71898644) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate.

Molecular Properties

Compound Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate
PubChem CID71898644
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate
SMILESCC(OC(=O)c1ccc2[nH]ncc2c1)c1nc2ccccc2n1C(F)F
InChIInChI=1S/C18H14F2N4O2/c1-10(16-22-14-4-2-3-5-15(14)24(16)18(19)20)26-17(25)11-6-7-13-12(8-11)9-21-23-13/h2-10,18H,1H3,(H,21,23)
InChIKeyAWOZHHVRHBCMTR-UHFFFAOYSA-N
XLogP4.23
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate?
The IUPAC name of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate (CID 71898644) is 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate.
What is the SMILES notation for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate?
The canonical SMILES for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate is CC(OC(=O)c1ccc2[nH]ncc2c1)c1nc2ccccc2n1C(F)F.
What is the InChIKey of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate?
The InChIKey is AWOZHHVRHBCMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-10(16-22-14-4-2-3-5-15(14)24(16)18(19)20)26-17(25)11-6-7-13-12(8-11)9-21-23-13/h2-10,18H,1H3,(H,21,23).
What are the key properties of 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate?
1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate has a molecular weight of 356.33 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl 1H-indazole-5-carboxylate is sourced from PubChem (CID 71898644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).