1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine

C25H28N4 — CID 72696449

IUPAC1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCCCCc1nc2c(N)nc(Cc3ccc(C)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C25H28N4/c1-3-4-10-23-28-24-22(29(23)17-20-8-6-5-7-9-20)16-21(27-25(24)26)15-19-13-11-18(2)12-14-19/h5-9,11-14,16H,3-4,10,15,17H2,1-2H3,(H2,26,27)
InChIKeyASRYWMVWFSQUEO-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.30
Rot. Bonds7

About 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine

1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine (PubChem CID 72696449) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
PubChem CID72696449
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
SMILESCCCCc1nc2c(N)nc(Cc3ccc(C)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C25H28N4/c1-3-4-10-23-28-24-22(29(23)17-20-8-6-5-7-9-20)16-21(27-25(24)26)15-19-13-11-18(2)12-14-19/h5-9,11-14,16H,3-4,10,15,17H2,1-2H3,(H2,26,27)
InChIKeyASRYWMVWFSQUEO-UHFFFAOYSA-N
XLogP5.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine (CID 72696449) is 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine is CCCCc1nc2c(N)nc(Cc3ccc(C)cc3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
The InChIKey is ASRYWMVWFSQUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-3-4-10-23-28-24-22(29(23)17-20-8-6-5-7-9-20)16-21(27-25(24)26)15-19-13-11-18(2)12-14-19/h5-9,11-14,16H,3-4,10,15,17H2,1-2H3,(H2,26,27).
What are the key properties of 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine?
1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine has a molecular weight of 384.53 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-butyl-6-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 72696449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).