N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine

C21H20N4O2 — CID 44531385

IUPACN-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c(OC)c1
InChIInChI=1S/C21H20N4O2/c1-26-15-8-9-16(18(12-15)27-2)20-24-17-10-11-22-21(19(17)25-20)23-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyIYCDVEDBYILOCB-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.25
Rot. Bonds6

About N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine

N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine (PubChem CID 44531385) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
PubChem CID44531385
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC NameN-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c(OC)c1
InChIInChI=1S/C21H20N4O2/c1-26-15-8-9-16(18(12-15)27-2)20-24-17-10-11-22-21(19(17)25-20)23-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyIYCDVEDBYILOCB-UHFFFAOYSA-N
XLogP4.25
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Carm1-IN-3
CID 44622850
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
8-(2,4-Dimethoxyphenyl)-9H-purine-2,6-diamine
CID 457736
2,4-Disubstituted Pyrimidine 2f
CID 5329419
2,4-Disubstituted Pyrimidine 2h
CID 5329421
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine (CID 44531385) is N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine is COc1ccc(-c2nc3c(NCc4ccccc4)nccc3[nH]2)c(OC)c1.
What is the InChIKey of N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
The InChIKey is IYCDVEDBYILOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-26-15-8-9-16(18(12-15)27-2)20-24-17-10-11-22-21(19(17)25-20)23-13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine?
N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine has a molecular weight of 360.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 44531385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).