6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one

C24H23N5O2 — CID 97071722

IUPAC6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(=O)n(-c5ccccc5)n4)C3)[nH]c2c1
InChIInChI=1S/C24H23N5O2/c1-16-9-10-19-21(14-16)26-23(25-19)17-6-5-13-28(15-17)24(31)20-11-12-22(30)29(27-20)18-7-3-2-4-8-18/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,25,26)/t17-/m0/s1
InChIKeyAGJOWTAMZZFNBE-KRWDZBQOSA-N
MW413.48 g/mol
LogP3.44
Rot. Bonds3

About 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one

6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one (PubChem CID 97071722) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one
PubChem CID97071722
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one
SMILESCc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(=O)n(-c5ccccc5)n4)C3)[nH]c2c1
InChIInChI=1S/C24H23N5O2/c1-16-9-10-19-21(14-16)26-23(25-19)17-6-5-13-28(15-17)24(31)20-11-12-22(30)29(27-20)18-7-3-2-4-8-18/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,25,26)/t17-/m0/s1
InChIKeyAGJOWTAMZZFNBE-KRWDZBQOSA-N
XLogP3.44
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one with MolForge

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Related Compounds

6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
CID 91946798
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223968
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethyl-1H-indol-2-yl)methanone
CID 70769742
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one (CID 97071722) is 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one is Cc1ccc2nc([C@H]3CCCN(C(=O)c4ccc(=O)n(-c5ccccc5)n4)C3)[nH]c2c1.
What is the InChIKey of 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one?
The InChIKey is AGJOWTAMZZFNBE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-9-10-19-21(14-16)26-23(25-19)17-6-5-13-28(15-17)24(31)20-11-12-22(30)29(27-20)18-7-3-2-4-8-18/h2-4,7-12,14,17H,5-6,13,15H2,1H3,(H,25,26)/t17-/m0/s1.
What are the key properties of 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one?
6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one has a molecular weight of 413.48 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 97071722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).