6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline

C21H18N4O2 — CID 95559962

IUPAC6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc2nccnc2c1
InChIInChI=1S/C21H18N4O2/c1-14(10-15-2-5-19-20(11-15)27-13-26-19)21-24-8-9-25(21)16-3-4-17-18(12-16)23-7-6-22-17/h2-9,11-12,14H,10,13H2,1H3/t14-/m1/s1
InChIKeyLSZAIMIZECOXPV-CQSZACIVSA-N
MW358.40 g/mol
LogP3.89
Rot. Bonds4

About 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline

6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline (PubChem CID 95559962) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline.

Molecular Properties

Compound Name6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
PubChem CID95559962
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline
SMILESC[C@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc2nccnc2c1
InChIInChI=1S/C21H18N4O2/c1-14(10-15-2-5-19-20(11-15)27-13-26-19)21-24-8-9-25(21)16-3-4-17-18(12-16)23-7-6-22-17/h2-9,11-12,14H,10,13H2,1H3/t14-/m1/s1
InChIKeyLSZAIMIZECOXPV-CQSZACIVSA-N
XLogP3.89
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(1,3-dihydro-2-benzofuran-5-yl)imidazole
CID 138383889
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(furan-3-ylmethyl)imidazole
CID 95209576
3-[[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]methyl]pyridine
CID 56751275
2-[2-[1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]-N,N-dimethylethanesulfonamide
CID 70723748
2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-(3-imidazol-1-ylpropyl)imidazole
CID 95205234
1-(1,3-benzodioxol-5-yl)-N-(quinoxalin-6-ylmethyl)methanamine
CID 45106893
(2S)-1-[1,3-benzodioxol-5-ylmethyl-[[4-(2-methylimidazol-1-yl)phenyl]methyl]amino]propan-2-ol
CID 51492800
3-(1,3-benzodioxol-5-ylmethylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 46337596
1-(1,3-benzodioxol-5-yl)-2-methylsulfonylimidazole
CID 82133808
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
1-(1,3-benzodioxol-5-yl)-3-(3-methylbutylamino)pyrazin-2-one
CID 20941705

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline?
The IUPAC name of 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline (CID 95559962) is 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline.
What is the SMILES notation for 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline?
The canonical SMILES for 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline is C[C@H](Cc1ccc2c(c1)OCO2)c1nccn1-c1ccc2nccnc2c1.
What is the InChIKey of 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline?
The InChIKey is LSZAIMIZECOXPV-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(10-15-2-5-19-20(11-15)27-13-26-19)21-24-8-9-25(21)16-3-4-17-18(12-16)23-7-6-22-17/h2-9,11-12,14H,10,13H2,1H3/t14-/m1/s1.
What are the key properties of 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline?
6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline has a molecular weight of 358.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R)-1-(1,3-benzodioxol-5-yl)propan-2-yl]imidazol-1-yl]quinoxaline is sourced from PubChem (CID 95559962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).