2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C22H22N4O — CID 97138643

IUPAC2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O/c27-21-13-15(23-17-8-2-1-7-16(17)21)14-26-12-6-5-11-20(26)22-24-18-9-3-4-10-19(18)25-22/h1-4,7-10,13,20H,5-6,11-12,14H2,(H,23,27)(H,24,25)/t20-/m0/s1
InChIKeyLLBSXSZUSBFMQL-FQEVSTJZSA-N
MW358.44 g/mol
LogP4.13
Rot. Bonds3

About 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one

2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 97138643) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID97138643
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]c2ccccc12
InChIInChI=1S/C22H22N4O/c27-21-13-15(23-17-8-2-1-7-16(17)21)14-26-12-6-5-11-20(26)22-24-18-9-3-4-10-19(18)25-22/h1-4,7-10,13,20H,5-6,11-12,14H2,(H,23,27)(H,24,25)/t20-/m0/s1
InChIKeyLLBSXSZUSBFMQL-FQEVSTJZSA-N
XLogP4.13
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 97138643) is 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one is O=c1cc(CN2CCCC[C@H]2c2nc3ccccc3[nH]2)[nH]c2ccccc12.
What is the InChIKey of 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is LLBSXSZUSBFMQL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O/c27-21-13-15(23-17-8-2-1-7-16(17)21)14-26-12-6-5-11-20(26)22-24-18-9-3-4-10-19(18)25-22/h1-4,7-10,13,20H,5-6,11-12,14H2,(H,23,27)(H,24,25)/t20-/m0/s1.
What are the key properties of 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 358.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97138643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).