2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine

C23H24N4O3 — CID 71729629

IUPAC2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
SMILESCOc1cc(Nc2cc3c(cn2)nc(Cc2ccccc2)n3C)cc(OC)c1OC
InChIInChI=1S/C23H24N4O3/c1-27-18-13-21(25-16-11-19(28-2)23(30-4)20(12-16)29-3)24-14-17(18)26-22(27)10-15-8-6-5-7-9-15/h5-9,11-14H,10H2,1-4H3,(H,24,25)
InChIKeyHCSHZHHXIWGKBM-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.33
Rot. Bonds7

About 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine

2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine (PubChem CID 71729629) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
PubChem CID71729629
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine
SMILESCOc1cc(Nc2cc3c(cn2)nc(Cc2ccccc2)n3C)cc(OC)c1OC
InChIInChI=1S/C23H24N4O3/c1-27-18-13-21(25-16-11-19(28-2)23(30-4)20(12-16)29-3)24-14-17(18)26-22(27)10-15-8-6-5-7-9-15/h5-9,11-14H,10H2,1-4H3,(H,24,25)
InChIKeyHCSHZHHXIWGKBM-UHFFFAOYSA-N
XLogP4.33
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine (CID 71729629) is 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine is COc1cc(Nc2cc3c(cn2)nc(Cc2ccccc2)n3C)cc(OC)c1OC.
What is the InChIKey of 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
The InChIKey is HCSHZHHXIWGKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-27-18-13-21(25-16-11-19(28-2)23(30-4)20(12-16)29-3)24-14-17(18)26-22(27)10-15-8-6-5-7-9-15/h5-9,11-14H,10H2,1-4H3,(H,24,25).
What are the key properties of 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine?
2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine has a molecular weight of 404.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 71729629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).