3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C22H26N4O2 — CID 72856082

IUPAC3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cccc2[nH]c(C3CCN(C(=O)c4ccc(C(C)C)[nH]c4=O)CC3)nc12
InChIInChI=1S/C22H26N4O2/c1-13(2)17-8-7-16(21(27)24-17)22(28)26-11-9-15(10-12-26)20-23-18-6-4-5-14(3)19(18)25-20/h4-8,13,15H,9-12H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyIYJRPJJEPKQLCW-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.70
Rot. Bonds3

About 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 72856082) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID72856082
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCc1cccc2[nH]c(C3CCN(C(=O)c4ccc(C(C)C)[nH]c4=O)CC3)nc12
InChIInChI=1S/C22H26N4O2/c1-13(2)17-8-7-16(21(27)24-17)22(28)26-11-9-15(10-12-26)20-23-18-6-4-5-14(3)19(18)25-20/h4-8,13,15H,9-12H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyIYJRPJJEPKQLCW-UHFFFAOYSA-N
XLogP3.70
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72868363
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70734781
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
2-hydroxy-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 72931914
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 56914258
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 154817199
2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 72907509

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 72856082) is 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is Cc1cccc2[nH]c(C3CCN(C(=O)c4ccc(C(C)C)[nH]c4=O)CC3)nc12.
What is the InChIKey of 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IYJRPJJEPKQLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13(2)17-8-7-16(21(27)24-17)22(28)26-11-9-15(10-12-26)20-23-18-6-4-5-14(3)19(18)25-20/h4-8,13,15H,9-12H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 72856082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).