1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide

C20H17F2N5O2 — CID 119044666

IUPAC1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2c(=O)[nH]c3ccccc32)nn1-c1c(F)cccc1F
InChIInChI=1S/C20H17F2N5O2/c1-12-11-16(25-27(12)18-13(21)5-4-6-14(18)22)19(28)23-9-10-26-17-8-3-2-7-15(17)24-20(26)29/h2-8,11H,9-10H2,1H3,(H,23,28)(H,24,29)
InChIKeyGZSJTTQXFUWYMW-UHFFFAOYSA-N
MW397.39 g/mol
LogP2.53
Rot. Bonds5

About 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 119044666) has the molecular formula C20H17F2N5O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide
PubChem CID119044666
Molecular FormulaC20H17F2N5O2
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCn2c(=O)[nH]c3ccccc32)nn1-c1c(F)cccc1F
InChIInChI=1S/C20H17F2N5O2/c1-12-11-16(25-27(12)18-13(21)5-4-6-14(18)22)19(28)23-9-10-26-17-8-3-2-7-15(17)24-20(26)29/h2-8,11H,9-10H2,1H3,(H,23,28)(H,24,29)
InChIKeyGZSJTTQXFUWYMW-UHFFFAOYSA-N
XLogP2.53
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide (CID 119044666) is 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)NCCn2c(=O)[nH]c3ccccc32)nn1-c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is GZSJTTQXFUWYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O2/c1-12-11-16(25-27(12)18-13(21)5-4-6-14(18)22)19(28)23-9-10-26-17-8-3-2-7-15(17)24-20(26)29/h2-8,11H,9-10H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 397.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 119044666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).