1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine

C18H20N4O2 — CID 82145915

IUPAC1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
SMILESCCC(N)Cn1c(-c2cccnc2)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H20N4O2/c1-2-13(19)11-22-15-9-17-16(23-6-7-24-17)8-14(15)21-18(22)12-4-3-5-20-10-12/h3-5,8-10,13H,2,6-7,11,19H2,1H3
InChIKeyMXIHIKBRZWRQBN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.61
Rot. Bonds4

About 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine

1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (PubChem CID 82145915) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
PubChem CID82145915
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine
SMILESCCC(N)Cn1c(-c2cccnc2)nc2cc3c(cc21)OCCO3
InChIInChI=1S/C18H20N4O2/c1-2-13(19)11-22-15-9-17-16(23-6-7-24-17)8-14(15)21-18(22)12-4-3-5-20-10-12/h3-5,8-10,13H,2,6-7,11,19H2,1H3
InChIKeyMXIHIKBRZWRQBN-UHFFFAOYSA-N
XLogP2.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The IUPAC name of 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine (CID 82145915) is 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is CCC(N)Cn1c(-c2cccnc2)nc2cc3c(cc21)OCCO3.
What is the InChIKey of 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
The InChIKey is MXIHIKBRZWRQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-13(19)11-22-15-9-17-16(23-6-7-24-17)8-14(15)21-18(22)12-4-3-5-20-10-12/h3-5,8-10,13H,2,6-7,11,19H2,1H3.
What are the key properties of 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine?
1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine has a molecular weight of 324.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)butan-2-amine is sourced from PubChem (CID 82145915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).