1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine

C25H29N5O — CID 72698139

IUPAC1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine
SMILESCCCCc1nc2c(N)nc(NCc3cccc(OC)c3)cc2n1Cc1ccccc1
InChIInChI=1S/C25H29N5O/c1-3-4-13-23-29-24-21(30(23)17-18-9-6-5-7-10-18)15-22(28-25(24)26)27-16-19-11-8-12-20(14-19)31-2/h5-12,14-15H,3-4,13,16-17H2,1-2H3,(H3,26,27,28)
InChIKeyMUYPLDXUZASYRE-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.03
Rot. Bonds9

About 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine

1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine (PubChem CID 72698139) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine.

Molecular Properties

Compound Name1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine
PubChem CID72698139
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine
SMILESCCCCc1nc2c(N)nc(NCc3cccc(OC)c3)cc2n1Cc1ccccc1
InChIInChI=1S/C25H29N5O/c1-3-4-13-23-29-24-21(30(23)17-18-9-6-5-7-10-18)15-22(28-25(24)26)27-16-19-11-8-12-20(14-19)31-2/h5-12,14-15H,3-4,13,16-17H2,1-2H3,(H3,26,27,28)
InChIKeyMUYPLDXUZASYRE-UHFFFAOYSA-N
XLogP5.03
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine?
The IUPAC name of 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine (CID 72698139) is 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine.
What is the SMILES notation for 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine?
The canonical SMILES for 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine is CCCCc1nc2c(N)nc(NCc3cccc(OC)c3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine?
The InChIKey is MUYPLDXUZASYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-3-4-13-23-29-24-21(30(23)17-18-9-6-5-7-10-18)15-22(28-25(24)26)27-16-19-11-8-12-20(14-19)31-2/h5-12,14-15H,3-4,13,16-17H2,1-2H3,(H3,26,27,28).
What are the key properties of 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine?
1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine has a molecular weight of 415.54 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-butyl-6-N-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridine-4,6-diamine is sourced from PubChem (CID 72698139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).