2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide

C22H21N5O3 — CID 121033620

IUPAC2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cn3cnc4ccccc43)n2)cc1
InChIInChI=1S/C22H21N5O3/c1-30-17-8-6-16(7-9-17)18-10-11-22(29)27(25-18)13-12-23-21(28)14-26-15-24-19-4-2-3-5-20(19)26/h2-11,15H,12-14H2,1H3,(H,23,28)
InChIKeyBCHNNKHFJNXMNO-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.09
Rot. Bonds7

About 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide

2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide (PubChem CID 121033620) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
PubChem CID121033620
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CCNC(=O)Cn3cnc4ccccc43)n2)cc1
InChIInChI=1S/C22H21N5O3/c1-30-17-8-6-16(7-9-17)18-10-11-22(29)27(25-18)13-12-23-21(28)14-26-15-24-19-4-2-3-5-20(19)26/h2-11,15H,12-14H2,1H3,(H,23,28)
InChIKeyBCHNNKHFJNXMNO-UHFFFAOYSA-N
XLogP2.09
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050358
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121064463
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051121
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049951
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051815
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050805
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide (CID 121033620) is 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide is COc1ccc(-c2ccc(=O)n(CCNC(=O)Cn3cnc4ccccc43)n2)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
The InChIKey is BCHNNKHFJNXMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-30-17-8-6-16(7-9-17)18-10-11-22(29)27(25-18)13-12-23-21(28)14-26-15-24-19-4-2-3-5-20(19)26/h2-11,15H,12-14H2,1H3,(H,23,28).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide?
2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 121033620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).