N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline

C17H17N3O2 — CID 82336768

IUPACN-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline
SMILESCCN(Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-20(12-6-4-3-5-7-12)10-17-18-13-8-15-16(22-11-21-15)9-14(13)19-17/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyHPYKXVSLEBTVEV-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.32
Rot. Bonds4

About N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline

N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline (PubChem CID 82336768) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline.

Molecular Properties

Compound NameN-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline
PubChem CID82336768
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline
SMILESCCN(Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-2-20(12-6-4-3-5-7-12)10-17-18-13-8-15-16(22-11-21-15)9-14(13)19-17/h3-9H,2,10-11H2,1H3,(H,18,19)
InChIKeyHPYKXVSLEBTVEV-UHFFFAOYSA-N
XLogP3.32
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 39158501
2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol
CID 82336761
6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 82336757
2-[(2-fluorophenyl)methyl]-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349059
2-[6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl(methyl)amino]acetic acid
CID 82336736
7-benzyl-8-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-3-ethylpurine-2,6-dione
CID 134262442
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
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
1-(1,3-benzodioxol-5-yl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 16786557
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-N-propylaniline
CID 71494889

Frequently Asked Questions

What is the IUPAC name of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline?
The IUPAC name of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline (CID 82336768) is N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline.
What is the SMILES notation for N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline?
The canonical SMILES for N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline is CCN(Cc1nc2cc3c(cc2[nH]1)OCO3)c1ccccc1.
What is the InChIKey of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline?
The InChIKey is HPYKXVSLEBTVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-20(12-6-4-3-5-7-12)10-17-18-13-8-15-16(22-11-21-15)9-14(13)19-17/h3-9H,2,10-11H2,1H3,(H,18,19).
What are the key properties of N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline?
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline has a molecular weight of 295.34 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline is sourced from PubChem (CID 82336768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).