5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine

C16H14N4O2 — CID 142578013

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
SMILESNc1nc(-c2cccnc2)c(-c2ccc3c(c2)OCCO3)[nH]1
InChIInChI=1S/C16H14N4O2/c17-16-19-14(15(20-16)11-2-1-5-18-9-11)10-3-4-12-13(8-10)22-7-6-21-12/h1-5,8-9H,6-7H2,(H3,17,19,20)
InChIKeyIOIPZCUUJUEVTA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.49
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine (PubChem CID 142578013) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
PubChem CID142578013
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine
SMILESNc1nc(-c2cccnc2)c(-c2ccc3c(c2)OCCO3)[nH]1
InChIInChI=1S/C16H14N4O2/c17-16-19-14(15(20-16)11-2-1-5-18-9-11)10-3-4-12-13(8-10)22-7-6-21-12/h1-5,8-9H,6-7H2,(H3,17,19,20)
InChIKeyIOIPZCUUJUEVTA-UHFFFAOYSA-N
XLogP2.49
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-5-pyridin-4-yl-1H-imidazol-2-amine
CID 142578133
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135480668
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925706
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylimidazole-1,5-diamine
CID 62483187
5-(2-methyl-4-pyridinyl)-4-(4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-1H-imidazol-2-amine
CID 142578026
3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylmethyl]pyridine
CID 55574764
3-[4-(1,3-benzodioxol-5-yl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-1H-pyrazolo[4,3-b]pyridine
CID 137109600
6-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 125180520
2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-3-carboxylic acid
CID 82089170
6-pyridin-3-yloxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43144876
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazine-2-thione
CID 106515242

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine (CID 142578013) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine is Nc1nc(-c2cccnc2)c(-c2ccc3c(c2)OCCO3)[nH]1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine?
The InChIKey is IOIPZCUUJUEVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c17-16-19-14(15(20-16)11-2-1-5-18-9-11)10-3-4-12-13(8-10)22-7-6-21-12/h1-5,8-9H,6-7H2,(H3,17,19,20).
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine has a molecular weight of 294.31 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-pyridin-3-yl-1H-imidazol-2-amine is sourced from PubChem (CID 142578013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).