N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide

C13H9F2N5O2 — CID 166187226

IUPACN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H9F2N5O2/c14-11(15)12-17-7-2-1-6(5-9(7)18-12)16-13(22)8-3-4-10(21)20-19-8/h1-5,11H,(H,16,22)(H,17,18)(H,20,21)
InChIKeyKNIRGHXVDDUDLB-UHFFFAOYSA-N
MW305.24 g/mol
LogP1.84
Rot. Bonds3

About N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 166187226) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID166187226
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H9F2N5O2/c14-11(15)12-17-7-2-1-6(5-9(7)18-12)16-13(22)8-3-4-10(21)20-19-8/h1-5,11H,(H,16,22)(H,17,18)(H,20,21)
InChIKeyKNIRGHXVDDUDLB-UHFFFAOYSA-N
XLogP1.84
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
CID 75391622
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide
CID 97246512
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 131939383
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
CID 110793209
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 166187226) is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is KNIRGHXVDDUDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c14-11(15)12-17-7-2-1-6(5-9(7)18-12)16-13(22)8-3-4-10(21)20-19-8/h1-5,11H,(H,16,22)(H,17,18)(H,20,21).
What are the key properties of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 166187226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).