[5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone

C22H15N5OS — CID 1214682

IUPAC[5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone
SMILES[H]/N=c1/c(-c2nc3ccccc3[nH]2)cc(C(=O)c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H15N5OS/c23-21-15(22-24-16-9-4-5-10-17(16)25-22)13-18(20(28)19-11-6-12-29-19)26-27(21)14-7-2-1-3-8-14/h1-13,23H,(H,24,25)/b23-21-
InChIKeyRHDIOIKWAASMRW-LNVKXUELSA-N
MW397.46 g/mol
LogP4.19
Rot. Bonds4

About [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone

[5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone (PubChem CID 1214682) has the molecular formula C22H15N5OS and a molecular weight of 397.46 g/mol. Its IUPAC name is [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone
PubChem CID1214682
Molecular FormulaC22H15N5OS
Molecular Weight397.46 g/mol
Exact Mass397.10
IUPAC Name[5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone
SMILES[H]/N=c1/c(-c2nc3ccccc3[nH]2)cc(C(=O)c2cccs2)nn1-c1ccccc1
InChIInChI=1S/C22H15N5OS/c23-21-15(22-24-16-9-4-5-10-17(16)25-22)13-18(20(28)19-11-6-12-29-19)26-27(21)14-7-2-1-3-8-14/h1-13,23H,(H,24,25)/b23-21-
InChIKeyRHDIOIKWAASMRW-LNVKXUELSA-N
XLogP4.19
TPSA87.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone (CID 1214682) is [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone is [H]/N=c1/c(-c2nc3ccccc3[nH]2)cc(C(=O)c2cccs2)nn1-c1ccccc1.
What is the InChIKey of [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone?
The InChIKey is RHDIOIKWAASMRW-LNVKXUELSA-N. The full InChI is InChI=1S/C22H15N5OS/c23-21-15(22-24-16-9-4-5-10-17(16)25-22)13-18(20(28)19-11-6-12-29-19)26-27(21)14-7-2-1-3-8-14/h1-13,23H,(H,24,25)/b23-21-.
What are the key properties of [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone?
[5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone has a molecular weight of 397.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-benzimidazol-2-yl)-6-imino-1-phenylpyridazin-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1214682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).