3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

C22H20N4O2 — CID 124879493

IUPAC3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N4O2/c27-20-14-7-1-2-8-16(14)23-13-15(20)22(28)26-12-6-5-11-19(26)21-24-17-9-3-4-10-18(17)25-21/h1-4,7-10,13,19H,5-6,11-12H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyUBTDVUAALLQFAC-IBGZPJMESA-N
MW372.43 g/mol
LogP3.77
Rot. Bonds2

About 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one

3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 124879493) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID124879493
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESO=C(c1c[nH]c2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N4O2/c27-20-14-7-1-2-8-16(14)23-13-15(20)22(28)26-12-6-5-11-19(26)21-24-17-9-3-4-10-18(17)25-21/h1-4,7-10,13,19H,5-6,11-12H2,(H,23,27)(H,24,25)/t19-/m0/s1
InChIKeyUBTDVUAALLQFAC-IBGZPJMESA-N
XLogP3.77
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136851165
2-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 136664971
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 99994993
3-(2-cyclohexylpyrrolidine-1-carbonyl)-1H-quinolin-4-one
CID 56818810
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126469939
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 51269932
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(1-methylindol-4-yl)methanone
CID 75490249
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 51269954

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one (CID 124879493) is 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is O=C(c1c[nH]c2ccccc2c1=O)N1CCCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is UBTDVUAALLQFAC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20N4O2/c27-20-14-7-1-2-8-16(14)23-13-15(20)22(28)26-12-6-5-11-19(26)21-24-17-9-3-4-10-18(17)25-21/h1-4,7-10,13,19H,5-6,11-12H2,(H,23,27)(H,24,25)/t19-/m0/s1.
What are the key properties of 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one?
3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 372.43 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 124879493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).