2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

C17H24N2O2 — CID 43168760

IUPAC2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(Cc1nc2cc3c(cc2[nH]1)OCCO3)CC(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(10-17(2,3)4)7-16-18-12-8-14-15(9-13(12)19-16)21-6-5-20-14/h8-9,11H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyQFNNQCIVFLDLSO-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.95
Rot. Bonds3

About 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole

2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (PubChem CID 43168760) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.

Molecular Properties

Compound Name2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
PubChem CID43168760
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
SMILESCC(Cc1nc2cc3c(cc2[nH]1)OCCO3)CC(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(10-17(2,3)4)7-16-18-12-8-14-15(9-13(12)19-16)21-6-5-20-14/h8-9,11H,5-7,10H2,1-4H3,(H,18,19)
InChIKeyQFNNQCIVFLDLSO-UHFFFAOYSA-N
XLogP3.95
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073274
2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153941
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
N-[2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)ethyl]-3-methylbutan-1-amine
CID 82337151
2-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)-2-methylpropan-1-amine
CID 84632810
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257
2-(1-cyclopropylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 83154943
2-[6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethyl(methyl)amino]acetic acid
CID 82336736
2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 82336593
6-bromo-2-(2,4,4-trimethylpentyl)-1H-imidazo[4,5-b]pyridine
CID 55188420

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The IUPAC name of 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole (CID 43168760) is 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole.
What is the SMILES notation for 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The canonical SMILES for 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is CC(Cc1nc2cc3c(cc2[nH]1)OCCO3)CC(C)(C)C.
What is the InChIKey of 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
The InChIKey is QFNNQCIVFLDLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(10-17(2,3)4)7-16-18-12-8-14-15(9-13(12)19-16)21-6-5-20-14/h8-9,11H,5-7,10H2,1-4H3,(H,18,19).
What are the key properties of 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole?
2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole has a molecular weight of 288.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylpentyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole is sourced from PubChem (CID 43168760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).