5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline

C22H23N5 — CID 95728190

IUPAC5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
SMILESc1ccc2[nH]c(C[C@@H]3CCCN(Cc4cccc5nccnc45)C3)nc2c1
InChIInChI=1S/C22H23N5/c1-2-8-19-18(7-1)25-21(26-19)13-16-5-4-12-27(14-16)15-17-6-3-9-20-22(17)24-11-10-23-20/h1-3,6-11,16H,4-5,12-15H2,(H,25,26)/t16-/m0/s1
InChIKeyLIDILUUWTVWVBW-INIZCTEOSA-N
MW357.46 g/mol
LogP3.96
Rot. Bonds4

About 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline

5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline (PubChem CID 95728190) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline.

Molecular Properties

Compound Name5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
PubChem CID95728190
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
SMILESc1ccc2[nH]c(C[C@@H]3CCCN(Cc4cccc5nccnc45)C3)nc2c1
InChIInChI=1S/C22H23N5/c1-2-8-19-18(7-1)25-21(26-19)13-16-5-4-12-27(14-16)15-17-6-3-9-20-22(17)24-11-10-23-20/h1-3,6-11,16H,4-5,12-15H2,(H,25,26)/t16-/m0/s1
InChIKeyLIDILUUWTVWVBW-INIZCTEOSA-N
XLogP3.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
2-[[(3S)-1-(thiophen-3-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 95725288
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 92628816
2-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1-methylbenzimidazole
CID 93242524
4-[4-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]pyrimidin-2-yl]morpholine
CID 92612884
2-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134702211
1-[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 61204225
N-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241392
2-[[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-benzimidazole
CID 46981224
1-[4-[[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]pyrrolidin-2-one
CID 93242474
3-[[(3S)-3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 92626591

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline?
The IUPAC name of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline (CID 95728190) is 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline.
What is the SMILES notation for 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline?
The canonical SMILES for 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline is c1ccc2[nH]c(C[C@@H]3CCCN(Cc4cccc5nccnc45)C3)nc2c1.
What is the InChIKey of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline?
The InChIKey is LIDILUUWTVWVBW-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N5/c1-2-8-19-18(7-1)25-21(26-19)13-16-5-4-12-27(14-16)15-17-6-3-9-20-22(17)24-11-10-23-20/h1-3,6-11,16H,4-5,12-15H2,(H,25,26)/t16-/m0/s1.
What are the key properties of 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline?
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline has a molecular weight of 357.46 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline is sourced from PubChem (CID 95728190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).