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4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine

C14H17ClN4O2 — CID 62507933

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(-c2cc(Cl)c3c(c2)OCCO3)c(N)n1N
InChIInChI=1S/C14H17ClN4O2/c1-7(2)14-18-11(13(16)19(14)17)8-5-9(15)12-10(6-8)20-3-4-21-12/h5-7H,3-4,16-17H2,1-2H3
InChIKeyQKJGHEBLZCMPGP-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.39
Rot. Bonds2

About 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine

4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine (PubChem CID 62507933) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine
PubChem CID62507933
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine
SMILESCC(C)c1nc(-c2cc(Cl)c3c(c2)OCCO3)c(N)n1N
InChIInChI=1S/C14H17ClN4O2/c1-7(2)14-18-11(13(16)19(14)17)8-5-9(15)12-10(6-8)20-3-4-21-12/h5-7H,3-4,16-17H2,1-2H3
InChIKeyQKJGHEBLZCMPGP-UHFFFAOYSA-N
XLogP2.39
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine?
The IUPAC name of 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine (CID 62507933) is 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine.
What is the SMILES notation for 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine?
The canonical SMILES for 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine is CC(C)c1nc(-c2cc(Cl)c3c(c2)OCCO3)c(N)n1N.
What is the InChIKey of 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine?
The InChIKey is QKJGHEBLZCMPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-7(2)14-18-11(13(16)19(14)17)8-5-9(15)12-10(6-8)20-3-4-21-12/h5-7H,3-4,16-17H2,1-2H3.
What are the key properties of 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine?
4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine has a molecular weight of 308.77 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propan-2-ylimidazole-1,5-diamine is sourced from PubChem (CID 62507933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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