4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine

C12H14N4O2 — CID 62483187

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2ccc3c(c2)OCCO3)c(N)n1N
InChIInChI=1S/C12H14N4O2/c1-7-15-11(12(13)16(7)14)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6H,4-5,13-14H2,1H3
InChIKeyBXHBIYBHVNHDJR-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.93
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine (PubChem CID 62483187) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
PubChem CID62483187
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
SMILESCc1nc(-c2ccc3c(c2)OCCO3)c(N)n1N
InChIInChI=1S/C12H14N4O2/c1-7-15-11(12(13)16(7)14)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6H,4-5,13-14H2,1H3
InChIKeyBXHBIYBHVNHDJR-UHFFFAOYSA-N
XLogP0.93
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethyl-2-propylimidazol-4-amine
CID 62219055
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 82355851
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidin-5-amine
CID 82477974
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidin-4-amine
CID 62203853
6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-methyl-1,2,4-triazin-5-amine
CID 116823432
4-(3,5-dichlorophenyl)-2-methylimidazole-1,5-diamine
CID 62483387
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethylaniline
CID 82088714
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethyl-1,2-oxazol-5-amine
CID 43670972

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine (CID 62483187) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine is Cc1nc(-c2ccc3c(c2)OCCO3)c(N)n1N.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine?
The InChIKey is BXHBIYBHVNHDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-15-11(12(13)16(7)14)8-2-3-9-10(6-8)18-5-4-17-9/h2-3,6H,4-5,13-14H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine has a molecular weight of 246.27 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine is sourced from PubChem (CID 62483187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).