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

C18H17ClN4O2 — CID 56908564

IUPAC5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17ClN4O2/c19-13-8-12(9-20-17(13)24)18(25)23-7-3-4-11(10-23)16-21-14-5-1-2-6-15(14)22-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,20,24)(H,21,22)
InChIKeyTTXJACUUFKXCDA-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.92
Rot. Bonds2

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

5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one (PubChem CID 56908564) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
PubChem CID56908564
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C18H17ClN4O2/c19-13-8-12(9-20-17(13)24)18(25)23-7-3-4-11(10-23)16-21-14-5-1-2-6-15(14)22-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,20,24)(H,21,22)
InChIKeyTTXJACUUFKXCDA-UHFFFAOYSA-N
XLogP2.92
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70763427
[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 51477839
3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 24675834
3-[(3R)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-2H-isoquinolin-1-one
CID 51649138
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methanone
CID 42932415
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 55483800
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-nitrophenyl)methanone
CID 42932421
4-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70782693
3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 77081700

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one?
The IUPAC name of 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one (CID 56908564) is 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCCC(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one?
The InChIKey is TTXJACUUFKXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-13-8-12(9-20-17(13)24)18(25)23-7-3-4-11(10-23)16-21-14-5-1-2-6-15(14)22-16/h1-2,5-6,8-9,11H,3-4,7,10H2,(H,20,24)(H,21,22).
What are the key properties of 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one?
5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one has a molecular weight of 356.81 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one is sourced from PubChem (CID 56908564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).