4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide

C23H24N6O2 — CID 86967337

IUPAC4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H24N6O2/c30-22(24-16-17-5-3-6-19(15-17)28-12-4-11-25-28)27-13-9-18(10-14-27)29-21-8-2-1-7-20(21)26-23(29)31/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,24,30)(H,26,31)
InChIKeyLGRAIXCNWFDYLA-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.06
Rot. Bonds4

About 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide

4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 86967337) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
PubChem CID86967337
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C23H24N6O2/c30-22(24-16-17-5-3-6-19(15-17)28-12-4-11-25-28)27-13-9-18(10-14-27)29-21-8-2-1-7-20(21)26-23(29)31/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,24,30)(H,26,31)
InChIKeyLGRAIXCNWFDYLA-UHFFFAOYSA-N
XLogP3.06
TPSA87.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 86967097
N-[2-(dimethylamino)-2-oxoethyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 136577151
4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 86967084
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
1-naphthalen-1-yl-4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butane-1,4-dione
CID 21109782
N-[(1-cyanocyclobutyl)methyl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 128839293
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
4-(2-oxo-3H-benzimidazol-1-yl)-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]piperidine-1-carboxamide
CID 112834980
N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504483
4-[(4-fluorophenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86967117

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide (CID 86967337) is 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide is O=C(NCc1cccc(-n2cccn2)c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is LGRAIXCNWFDYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c30-22(24-16-17-5-3-6-19(15-17)28-12-4-11-25-28)27-13-9-18(10-14-27)29-21-8-2-1-7-20(21)26-23(29)31/h1-8,11-12,15,18H,9-10,13-14,16H2,(H,24,30)(H,26,31).
What are the key properties of 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide?
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 86967337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).