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

C14H17ClN4O2 — CID 62506926

IUPAC4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine
SMILESCCCc1nc(-c2cc(Cl)c3c(c2)OCCO3)c(N)n1N
InChIInChI=1S/C14H17ClN4O2/c1-2-3-11-18-12(14(16)19(11)17)8-6-9(15)13-10(7-8)20-4-5-21-13/h6-7H,2-5,16-17H2,1H3
InChIKeyNPKDFYJVUGCMKW-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.22
Rot. Bonds3

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

4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine (PubChem CID 62506926) 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-propylimidazole-1,5-diamine.

Molecular Properties

Compound Name4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine
PubChem CID62506926
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine
SMILESCCCc1nc(-c2cc(Cl)c3c(c2)OCCO3)c(N)n1N
InChIInChI=1S/C14H17ClN4O2/c1-2-3-11-18-12(14(16)19(11)17)8-6-9(15)13-10(7-8)20-4-5-21-13/h6-7H,2-5,16-17H2,1H3
InChIKeyNPKDFYJVUGCMKW-UHFFFAOYSA-N
XLogP2.22
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.22
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-propylimidazole-1,5-diamine?
The IUPAC name of 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine (CID 62506926) is 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine.
What is the SMILES notation for 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine?
The canonical SMILES for 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine is CCCc1nc(-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-propylimidazole-1,5-diamine?
The InChIKey is NPKDFYJVUGCMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-2-3-11-18-12(14(16)19(11)17)8-6-9(15)13-10(7-8)20-4-5-21-13/h6-7H,2-5,16-17H2,1H3.
What are the key properties of 4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine?
4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propylimidazole-1,5-diamine has a molecular weight of 308.77 g/mol, XLogP of 2.22, 3 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-propylimidazole-1,5-diamine is sourced from PubChem (CID 62506926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).