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

C19H19ClN4O2 — CID 72868363

IUPAC5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc2[nH]c(C3CCN(C(=O)c4cc(Cl)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C19H19ClN4O2/c1-11-3-2-4-15-16(11)23-17(22-15)12-5-7-24(8-6-12)19(26)14-9-13(20)10-21-18(14)25/h2-4,9-10,12H,5-8H2,1H3,(H,21,25)(H,22,23)
InChIKeyVZVQLKDBFOVNMG-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.23
Rot. Bonds2

About 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one

5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 72868363) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID72868363
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cccc2[nH]c(C3CCN(C(=O)c4cc(Cl)c[nH]c4=O)CC3)nc12
InChIInChI=1S/C19H19ClN4O2/c1-11-3-2-4-15-16(11)23-17(22-15)12-5-7-24(8-6-12)19(26)14-9-13(20)10-21-18(14)25/h2-4,9-10,12H,5-8H2,1H3,(H,21,25)(H,22,23)
InChIKeyVZVQLKDBFOVNMG-UHFFFAOYSA-N
XLogP3.23
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-[(2S)-2-(4-methyl-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95189791
3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 72856082
[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
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
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 71827968
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 72868363) is 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cccc2[nH]c(C3CCN(C(=O)c4cc(Cl)c[nH]c4=O)CC3)nc12.
What is the InChIKey of 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is VZVQLKDBFOVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-11-3-2-4-15-16(11)23-17(22-15)12-5-7-24(8-6-12)19(26)14-9-13(20)10-21-18(14)25/h2-4,9-10,12H,5-8H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 370.84 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 72868363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).