6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine

C20H16N4O2 — CID 155561137

IUPAC6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine
SMILESCn1c(Nc2ccccc2)nc2cnc(-c3ccc4c(c3)OCO4)cc21
InChIInChI=1S/C20H16N4O2/c1-24-17-10-15(13-7-8-18-19(9-13)26-12-25-18)21-11-16(17)23-20(24)22-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyGEWGYSFRGRXTNZ-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.11
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine

6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine (PubChem CID 155561137) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine
PubChem CID155561137
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine
SMILESCn1c(Nc2ccccc2)nc2cnc(-c3ccc4c(c3)OCO4)cc21
InChIInChI=1S/C20H16N4O2/c1-24-17-10-15(13-7-8-18-19(9-13)26-12-25-18)21-11-16(17)23-20(24)22-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23)
InChIKeyGEWGYSFRGRXTNZ-UHFFFAOYSA-N
XLogP4.11
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine (CID 155561137) is 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine is Cn1c(Nc2ccccc2)nc2cnc(-c3ccc4c(c3)OCO4)cc21.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine?
The InChIKey is GEWGYSFRGRXTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-24-17-10-15(13-7-8-18-19(9-13)26-12-25-18)21-11-16(17)23-20(24)22-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine?
6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine has a molecular weight of 344.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-1-methyl-N-phenylimidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 155561137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).