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

C11H13N3O2 — CID 3086247

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc2c(cc1NC1=NCCN1)OCCO2
InChIInChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14)
InChIKeyCARQBUHFBAORAB-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.83
Rot. Bonds1

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 3086247) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID3086247
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc2c(cc1NC1=NCCN1)OCCO2
InChIInChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14)
InChIKeyCARQBUHFBAORAB-UHFFFAOYSA-N
XLogP0.83
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2,3-Dihydro-1,4-benzodioxin-6-yl)urea
CID 3837306
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N-dimethylthiourea
CID 2731591
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-(2-hydroxyethyl)thiourea
CID 2731592
1-Cyclohexyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 844261
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-phenylpiperazine-1-carboxamide
CID 1474781
N-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 3086489
N-(4-phenoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 13514963
N-(2,3-dihydro-1,4-benzodioxin-6-yl)guanidine
CID 29181446
N-(2,3-Dihydro-5-methyl-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 10198552
(2,3-Dihydro-1,4-benzodioxin-6-yl)thiourea
CID 2765756
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpiperazine-1-carboxamide
CID 1474775
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(3-methoxypropyl)thiourea
CID 2958108

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 3086247) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine is c1cc2c(cc1NC1=NCCN1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CARQBUHFBAORAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-9-10(16-6-5-15-9)7-8(1)14-11-12-3-4-13-11/h1-2,7H,3-6H2,(H2,12,13,14).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 219.24 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 3086247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).