3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide

C20H23N5O2 — CID 118763050

IUPAC3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3cncn3CC(C)C)c2)nn1
InChIInChI=1S/C20H23N5O2/c1-14(2)12-25-13-21-10-17(25)11-22-20(26)16-6-4-5-15(9-16)18-7-8-19(27-3)24-23-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,26)
InChIKeyIOBNSNQCKMKDMH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.93
Rot. Bonds7

About 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide

3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide (PubChem CID 118763050) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
PubChem CID118763050
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
SMILESCOc1ccc(-c2cccc(C(=O)NCc3cncn3CC(C)C)c2)nn1
InChIInChI=1S/C20H23N5O2/c1-14(2)12-25-13-21-10-17(25)11-22-20(26)16-6-4-5-15(9-16)18-7-8-19(27-3)24-23-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,26)
InChIKeyIOBNSNQCKMKDMH-UHFFFAOYSA-N
XLogP2.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 119070135
3-(2,5-dimethyl-1H-imidazol-4-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide;formic acid
CID 154908951
3-(6-methoxypyridazin-3-yl)-N-prop-2-ynylbenzamide
CID 134802663
3-(6-methoxypyridazin-3-yl)-N-(2-phenylethyl)benzamide
CID 134803345
3-[6-(3-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide
CID 46387077
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanoic acid
CID 22317204
3-[3-(6-methoxypyridazin-3-yl)phenyl]-3-oxopropanamide
CID 141074265
3-hydroxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyridine-4-carboxamide
CID 90649146
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 118795480
3-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 46387069
4-(methoxymethyl)-5-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118781171
3-[5-(dimethylamino)-1-ethyl-1,2,4-triazol-3-yl]-N-[(3-ethylimidazol-4-yl)methyl]benzamide
CID 122557122

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The IUPAC name of 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide (CID 118763050) is 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide is COc1ccc(-c2cccc(C(=O)NCc3cncn3CC(C)C)c2)nn1.
What is the InChIKey of 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
The InChIKey is IOBNSNQCKMKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)12-25-13-21-10-17(25)11-22-20(26)16-6-4-5-15(9-16)18-7-8-19(27-3)24-23-18/h4-10,13-14H,11-12H2,1-3H3,(H,22,26).
What are the key properties of 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide?
3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide has a molecular weight of 365.44 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypyridazin-3-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide is sourced from PubChem (CID 118763050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).