2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol

C12H15N3O3 — CID 82336761

IUPAC2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol
SMILESCN(CCO)Cc1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C12H15N3O3/c1-15(2-3-16)6-12-13-8-4-10-11(18-7-17-10)5-9(8)14-12/h4-5,16H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMZPVLJIODPTKCN-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.72
Rot. Bonds4

About 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol

2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol (PubChem CID 82336761) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol
PubChem CID82336761
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol
SMILESCN(CCO)Cc1nc2cc3c(cc2[nH]1)OCO3
InChIInChI=1S/C12H15N3O3/c1-15(2-3-16)6-12-13-8-4-10-11(18-7-17-10)5-9(8)14-12/h4-5,16H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyMZPVLJIODPTKCN-UHFFFAOYSA-N
XLogP0.72
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl(methyl)amino]acetic acid
CID 82336736
7-[[2-hydroxyethyl(methyl)amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 91823152
6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 82336757
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline
CID 82336768
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
3-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 91839392
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanamide
CID 82354702
6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 39158501
3-(1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 43114624
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426

Frequently Asked Questions

What is the IUPAC name of 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol?
The IUPAC name of 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol (CID 82336761) is 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol.
What is the SMILES notation for 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol?
The canonical SMILES for 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol is CN(CCO)Cc1nc2cc3c(cc2[nH]1)OCO3.
What is the InChIKey of 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol?
The InChIKey is MZPVLJIODPTKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-15(2-3-16)6-12-13-8-4-10-11(18-7-17-10)5-9(8)14-12/h4-5,16H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol?
2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol has a molecular weight of 249.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol is sourced from PubChem (CID 82336761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).