4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one

C19H22BrN5O — CID 133445384

IUPAC4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCCc1nc2ccccc2n1C1CCN(c2cnn(C)c(=O)c2Br)CC1
InChIInChI=1S/C19H22BrN5O/c1-3-17-22-14-6-4-5-7-15(14)25(17)13-8-10-24(11-9-13)16-12-21-23(2)19(26)18(16)20/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyMJVVEPZBLMRMGY-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.30
Rot. Bonds3

About 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one

4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 133445384) has the molecular formula C19H22BrN5O and a molecular weight of 416.32 g/mol. Its IUPAC name is 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID133445384
Molecular FormulaC19H22BrN5O
Molecular Weight416.32 g/mol
Exact Mass415.10
IUPAC Name4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCCc1nc2ccccc2n1C1CCN(c2cnn(C)c(=O)c2Br)CC1
InChIInChI=1S/C19H22BrN5O/c1-3-17-22-14-6-4-5-7-15(14)25(17)13-8-10-24(11-9-13)16-12-21-23(2)19(26)18(16)20/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyMJVVEPZBLMRMGY-UHFFFAOYSA-N
XLogP3.30
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-4-methylsulfonylphenyl]ethanone
CID 133463109
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
N-ethyl-6-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 133445496
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
CID 127733592
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
4-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-fluoro-N-methylbenzenesulfonamide
CID 133445357
2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
CID 133445454
1-[1-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-yl]-2-ethylbenzimidazole
CID 133445355
1-[3-[4-(2-ethylbenzimidazol-1-yl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 75399301
7-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133445499

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one (CID 133445384) is 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one is CCc1nc2ccccc2n1C1CCN(c2cnn(C)c(=O)c2Br)CC1.
What is the InChIKey of 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is MJVVEPZBLMRMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O/c1-3-17-22-14-6-4-5-7-15(14)25(17)13-8-10-24(11-9-13)16-12-21-23(2)19(26)18(16)20/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one?
4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 416.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 133445384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).