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

C25H27N5O — CID 3205884

IUPAC1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
SMILESCCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1
InChIInChI=1S/C25H27N5O/c1-3-4-15-23-28-22-16-21(29-25(31)27-20-13-9-6-10-14-20)18(2)26-24(22)30(23)17-19-11-7-5-8-12-19/h5-14,16H,3-4,15,17H2,1-2H3,(H2,27,29,31)
InChIKeyXHWBDFIKNCFMEJ-UHFFFAOYSA-N
MW413.53 g/mol
LogP5.77
Rot. Bonds7

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

1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea (PubChem CID 3205884) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
PubChem CID3205884
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
SMILESCCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1
InChIInChI=1S/C25H27N5O/c1-3-4-15-23-28-22-16-21(29-25(31)27-20-13-9-6-10-14-20)18(2)26-24(22)30(23)17-19-11-7-5-8-12-19/h5-14,16H,3-4,15,17H2,1-2H3,(H2,27,29,31)
InChIKeyXHWBDFIKNCFMEJ-UHFFFAOYSA-N
XLogP5.77
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.53
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212358
1-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3197696
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
CID 3205882
N-[2-butyl-3-[(4-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197681
N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 3197690
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 3212345
1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
CID 1437811
tert-butyl N-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]carbamate
CID 3205871
N-[2-butyl-5-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
CID 3212379

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea?
The IUPAC name of 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea (CID 3205884) is 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea.
What is the SMILES notation for 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea?
The canonical SMILES for 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea is CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea?
The InChIKey is XHWBDFIKNCFMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-3-4-15-23-28-22-16-21(29-25(31)27-20-13-9-6-10-14-20)18(2)26-24(22)30(23)17-19-11-7-5-8-12-19/h5-14,16H,3-4,15,17H2,1-2H3,(H2,27,29,31).
What are the key properties of 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea?
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea has a molecular weight of 413.53 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea is sourced from PubChem (CID 3205884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).