1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine

C14H12N4O2 — CID 79271698

IUPAC1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N4O2/c15-14-17-10-6-16-4-3-11(10)18(14)7-9-1-2-12-13(5-9)20-8-19-12/h1-6H,7-8H2,(H2,15,17)
InChIKeyWZTLPCSDCRJFGA-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.79
Rot. Bonds2

About 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine

1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine (PubChem CID 79271698) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine
PubChem CID79271698
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2cnccc2n1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C14H12N4O2/c15-14-17-10-6-16-4-3-11(10)18(14)7-9-1-2-12-13(5-9)20-8-19-12/h1-6H,7-8H2,(H2,15,17)
InChIKeyWZTLPCSDCRJFGA-UHFFFAOYSA-N
XLogP1.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-amino-1-(1,3-benzodioxol-5-ylmethyl)benzimidazol-5-yl]propanoic acid
CID 11186823
1-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79296071
1-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 79295711
1-[(1-methyl-1,2,4-triazol-3-yl)methyl]imidazo[4,5-c]pyridin-2-amine
CID 114125340
1-(1,3-benzodioxol-5-ylmethyl)-5-phenylimidazol-2-amine
CID 53316759
1-(2-pyrrolidin-1-ylethyl)imidazo[4,5-c]pyridin-2-amine
CID 79296073
1-[2-(dimethylamino)propyl]imidazo[4,5-c]pyridin-2-amine
CID 79296345
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyridin-3-amine
CID 9161682
2-amino-3-(1,3-benzodioxol-5-ylmethyl)-7-(naphthalen-2-ylmethyl)purin-6-one
CID 10180746
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
1-(1,3-benzodioxol-5-ylmethyl)-5-(chloromethyl)imidazole;hydrochloride
CID 18670780
1-[3-(dimethylamino)-2,2-dimethylpropyl]imidazo[4,5-c]pyridin-2-amine
CID 79295875

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine (CID 79271698) is 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine is Nc1nc2cnccc2n1Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
The InChIKey is WZTLPCSDCRJFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c15-14-17-10-6-16-4-3-11(10)18(14)7-9-1-2-12-13(5-9)20-8-19-12/h1-6H,7-8H2,(H2,15,17).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine?
1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 79271698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).