N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide

C20H16N6O2 — CID 165415057

IUPACN-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccnnc1
InChIInChI=1S/C20H16N6O2/c1-21-20(28)14-9-16-17(25-18(24-16)12-5-3-2-4-6-12)10-15(14)26-19(27)13-7-8-22-23-11-13/h2-11H,1H3,(H,21,28)(H,24,25)(H,26,27)
InChIKeyKKHMVIBNQQTTGZ-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.63
Rot. Bonds4

About N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide

N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide (PubChem CID 165415057) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide
PubChem CID165415057
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC NameN-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccnnc1
InChIInChI=1S/C20H16N6O2/c1-21-20(28)14-9-16-17(25-18(24-16)12-5-3-2-4-6-12)10-15(14)26-19(27)13-7-8-22-23-11-13/h2-11H,1H3,(H,21,28)(H,24,25)(H,26,27)
InChIKeyKKHMVIBNQQTTGZ-UHFFFAOYSA-N
XLogP2.63
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide (CID 165415057) is N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1ccnnc1.
What is the InChIKey of N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide?
The InChIKey is KKHMVIBNQQTTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c1-21-20(28)14-9-16-17(25-18(24-16)12-5-3-2-4-6-12)10-15(14)26-19(27)13-7-8-22-23-11-13/h2-11H,1H3,(H,21,28)(H,24,25)(H,26,27).
What are the key properties of N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide?
N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-6-(pyridazine-4-carbonylamino)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).