N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C13H11F2N5O2 — CID 56791738

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11F2N5O2/c14-11(15)6-20-5-8(4-16-20)17-12(21)7-1-2-9-10(3-7)19-13(22)18-9/h1-5,11H,6H2,(H,17,21)(H2,18,19,22)
InChIKeyZXPIXFYHCXHGHJ-UHFFFAOYSA-N
MW307.26 g/mol
LogP1.57
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 56791738) has the molecular formula C13H11F2N5O2 and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID56791738
Molecular FormulaC13H11F2N5O2
Molecular Weight307.26 g/mol
Exact Mass307.09
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11F2N5O2/c14-11(15)6-20-5-8(4-16-20)17-12(21)7-1-2-9-10(3-7)19-13(22)18-9/h1-5,11H,6H2,(H,17,21)(H2,18,19,22)
InChIKeyZXPIXFYHCXHGHJ-UHFFFAOYSA-N
XLogP1.57
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 56791738) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is O=C(Nc1cnn(CC(F)F)c1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is ZXPIXFYHCXHGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5O2/c14-11(15)6-20-5-8(4-16-20)17-12(21)7-1-2-9-10(3-7)19-13(22)18-9/h1-5,11H,6H2,(H,17,21)(H2,18,19,22).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 307.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 56791738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).