1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one

C28H26N6O2 — CID 118215149

IUPAC1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccccc4)n3)CC2)c2ccccc21
InChIInChI=1S/C28H26N6O2/c1-31-24-9-5-6-10-25(24)33(28(31)36)21-13-17-32(18-14-21)27(35)23-19-26(20-11-15-29-16-12-20)34(30-23)22-7-3-2-4-8-22/h2-12,15-16,19,21H,13-14,17-18H2,1H3
InChIKeyNJEKXPJMGUYTMU-UHFFFAOYSA-N
MW478.56 g/mol
LogP4.07
Rot. Bonds4

About 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one

1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one (PubChem CID 118215149) has the molecular formula C28H26N6O2 and a molecular weight of 478.56 g/mol. Its IUPAC name is 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one
PubChem CID118215149
Molecular FormulaC28H26N6O2
Molecular Weight478.56 g/mol
Exact Mass478.21
IUPAC Name1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one
SMILESCn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccccc4)n3)CC2)c2ccccc21
InChIInChI=1S/C28H26N6O2/c1-31-24-9-5-6-10-25(24)33(28(31)36)21-13-17-32(18-14-21)27(35)23-19-26(20-11-15-29-16-12-20)34(30-23)22-7-3-2-4-8-22/h2-12,15-16,19,21H,13-14,17-18H2,1H3
InChIKeyNJEKXPJMGUYTMU-UHFFFAOYSA-N
XLogP4.07
TPSA77.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one with MolForge

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Related Compounds

3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 118215059
(1-phenyl-5-pyridin-4-ylpyrazol-3-yl)-piperazin-1-ylmethanone
CID 118215004
fluoromethane;1-(4-fluorophenyl)-5-pyridin-4-ylpyrazole-3-carbaldehyde;1-methyl-3-(1-methylpiperidin-4-yl)benzimidazol-2-one
CID 144880278
1-[1-[5-pyridin-4-yl-1-[6-(trifluoromethyl)-3-pyridinyl]pyrazole-3-carbonyl]piperidin-4-yl]-3H-indol-2-one
CID 118215150
8-[1-(1,3-benzodioxol-5-yl)-5-pyridin-4-ylpyrazole-3-carbonyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 118215001
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
ethane;ethanol;1-methyl-3-[1-[1-(pyridin-4-ylmethyl)azetidine-3-carbonyl]piperidin-4-yl]benzimidazol-2-one
CID 142839947
7-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 123362592
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46323923
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
[4-(1-aminoethyl)piperidin-1-yl]-(1-phenyl-5-thiophen-2-ylpyrazol-3-yl)methanone
CID 119519370

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one (CID 118215149) is 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one is Cn1c(=O)n(C2CCN(C(=O)c3cc(-c4ccncc4)n(-c4ccccc4)n3)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one?
The InChIKey is NJEKXPJMGUYTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O2/c1-31-24-9-5-6-10-25(24)33(28(31)36)21-13-17-32(18-14-21)27(35)23-19-26(20-11-15-29-16-12-20)34(30-23)22-7-3-2-4-8-22/h2-12,15-16,19,21H,13-14,17-18H2,1H3.
What are the key properties of 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one?
1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one has a molecular weight of 478.56 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(1-phenyl-5-pyridin-4-ylpyrazole-3-carbonyl)piperidin-4-yl]benzimidazol-2-one is sourced from PubChem (CID 118215149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).