4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one

C24H25N5O2 — CID 55536470

IUPAC4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2c1=O
InChIInChI=1S/C24H25N5O2/c1-15(2)29-23(30)18-8-4-3-7-17(18)21(27-29)24(31)28-13-11-16(12-14-28)22-25-19-9-5-6-10-20(19)26-22/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)
InChIKeyQAQVMKKXMDZPPI-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.87
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one

4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one (PubChem CID 55536470) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
PubChem CID55536470
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
SMILESCC(C)n1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2c1=O
InChIInChI=1S/C24H25N5O2/c1-15(2)29-23(30)18-8-4-3-7-17(18)21(27-29)24(31)28-13-11-16(12-14-28)22-25-19-9-5-6-10-20(19)26-22/h3-10,15-16H,11-14H2,1-2H3,(H,25,26)
InChIKeyQAQVMKKXMDZPPI-UHFFFAOYSA-N
XLogP3.87
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 33116238
4-(4-methoxypiperidine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 56810545
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-bromo-5-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 71827914
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 35348252
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 71827968
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-fluoro-2-pyridinyl)methanone
CID 138034009
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-butylphthalazin-1-one
CID 47017728
2-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108762237
4-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 78848532
4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 119564265
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 33119811

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one (CID 55536470) is 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one is CC(C)n1nc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c2ccccc2c1=O.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
The InChIKey is QAQVMKKXMDZPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(2)29-23(30)18-8-4-3-7-17(18)21(27-29)24(31)28-13-11-16(12-14-28)22-25-19-9-5-6-10-20(19)26-22/h3-10,15-16H,11-14H2,1-2H3,(H,25,26).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one?
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one has a molecular weight of 415.50 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 55536470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).