N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H13N5O2 — CID 21008765

IUPACN-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nc3ccccc3[nH]2)=NN1
InChIInChI=1S/C13H13N5O2/c19-12-6-5-10(17-18-12)13(20)14-7-11-15-8-3-1-2-4-9(8)16-11/h1-4H,5-7H2,(H,14,20)(H,15,16)(H,18,19)
InChIKeyBRGNJPINNLDXQF-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.45
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 21008765) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID21008765
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nc3ccccc3[nH]2)=NN1
InChIInChI=1S/C13H13N5O2/c19-12-6-5-10(17-18-12)13(20)14-7-11-15-8-3-1-2-4-9(8)16-11/h1-4H,5-7H2,(H,14,20)(H,15,16)(H,18,19)
InChIKeyBRGNJPINNLDXQF-UHFFFAOYSA-N
XLogP0.45
TPSA99.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228
N-[(2-fluorophenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 8870756
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
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N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
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N-(1H-benzimidazol-2-ylmethyl)-N-methyl-5-oxo-1,4-dihydropyrazole-3-carboxamide
CID 110467875
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-[(4-methylphenyl)methyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3291050
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N-(1H-benzimidazol-2-ylmethyl)-2-bromo-3-methylbenzamide
CID 103854329
N-(1H-benzimidazol-2-ylmethyl)-2,5-dichloropyridine-4-carboxamide
CID 105055625
N-(1H-benzimidazol-2-ylmethyl)-2-chloro-4,5-difluorobenzamide
CID 78769893

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 21008765) is N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCc2nc3ccccc3[nH]2)=NN1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is BRGNJPINNLDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c19-12-6-5-10(17-18-12)13(20)14-7-11-15-8-3-1-2-4-9(8)16-11/h1-4H,5-7H2,(H,14,20)(H,15,16)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 21008765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).