3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C24H23N5O3 — CID 17393806

IUPAC3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H23N5O3/c30-22-11-10-20(26-28(22)16-17-6-2-1-3-7-17)23(31)27-14-12-18(13-15-27)29-21-9-5-4-8-19(21)25-24(29)32/h1-11,18H,12-16H2,(H,25,32)
InChIKeyOOALNZBQYFSVMD-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.41
Rot. Bonds4

About 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 17393806) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID17393806
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C24H23N5O3/c30-22-11-10-20(26-28(22)16-17-6-2-1-3-7-17)23(31)27-14-12-18(13-15-27)29-21-9-5-4-8-19(21)25-24(29)32/h1-11,18H,12-16H2,(H,25,32)
InChIKeyOOALNZBQYFSVMD-UHFFFAOYSA-N
XLogP2.41
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
2-benzyl-6-(piperazine-1-carbonyl)pyridazin-3-one;hydrochloride
CID 119403547
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 119696094
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-(2-bromobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 44756975
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 142654855
benzyl 3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]pyrrolidine-1-carboxylate;molecular hydrogen
CID 143592072
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 17393806) is 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is OOALNZBQYFSVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c30-22-11-10-20(26-28(22)16-17-6-2-1-3-7-17)23(31)27-14-12-18(13-15-27)29-21-9-5-4-8-19(21)25-24(29)32/h1-11,18H,12-16H2,(H,25,32).
What are the key properties of 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 429.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-benzyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 17393806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).