1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea

C26H29N5O — CID 3204062

IUPAC1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea
SMILESCCCCc1nc2c(C)c(NC(=O)NCc3ccccc3)cnc2n1Cc1ccccc1
InChIInChI=1S/C26H29N5O/c1-3-4-15-23-30-24-19(2)22(29-26(32)28-16-20-11-7-5-8-12-20)17-27-25(24)31(23)18-21-13-9-6-10-14-21/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,28,29,32)
InChIKeyXXDXLHAZTUPDMY-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.45
Rot. Bonds8

About 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea

1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea (PubChem CID 3204062) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea
PubChem CID3204062
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea
SMILESCCCCc1nc2c(C)c(NC(=O)NCc3ccccc3)cnc2n1Cc1ccccc1
InChIInChI=1S/C26H29N5O/c1-3-4-15-23-30-24-19(2)22(29-26(32)28-16-20-11-7-5-8-12-20)17-27-25(24)31(23)18-21-13-9-6-10-14-21/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,28,29,32)
InChIKeyXXDXLHAZTUPDMY-UHFFFAOYSA-N
XLogP5.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]urea
CID 3212409
1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3212407
N-[2-butyl-3-[(3-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]acetamide
CID 5113824
N-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-2-chlorobenzamide
CID 3212401
1-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3204080
N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3204071
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
N-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
CID 19754054
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-2,2-dimethylpropanamide
CID 3205877
butyl N-[2-[4-[[6-(butanoylamino)-7-methyl-2-propylimidazo[4,5-b]pyridin-3-yl]methyl]phenyl]-4-butylphenyl]sulfonylcarbamate
CID 19939774
1-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethyl]-3-benzylurea
CID 18616841

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea?
The IUPAC name of 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea (CID 3204062) is 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea.
What is the SMILES notation for 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea?
The canonical SMILES for 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea is CCCCc1nc2c(C)c(NC(=O)NCc3ccccc3)cnc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea?
The InChIKey is XXDXLHAZTUPDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-3-4-15-23-30-24-19(2)22(29-26(32)28-16-20-11-7-5-8-12-20)17-27-25(24)31(23)18-21-13-9-6-10-14-21/h5-14,17H,3-4,15-16,18H2,1-2H3,(H2,28,29,32).
What are the key properties of 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea?
1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea has a molecular weight of 427.55 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-benzyl-2-butyl-7-methylimidazo[4,5-b]pyridin-6-yl)urea is sourced from PubChem (CID 3204062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).