1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea

C22H20ClN5O — CID 1437811

IUPAC1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
SMILESCc1nc2c(cc1NC(=O)Nc1cccc(Cl)c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C22H20ClN5O/c1-14-19(27-22(29)26-18-10-6-9-17(23)11-18)12-20-21(24-14)28(15(2)25-20)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H2,26,27,29)
InChIKeyYGRJOROUCPDFBY-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.39
Rot. Bonds4

About 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea

1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea (PubChem CID 1437811) has the molecular formula C22H20ClN5O and a molecular weight of 405.89 g/mol. Its IUPAC name is 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
PubChem CID1437811
Molecular FormulaC22H20ClN5O
Molecular Weight405.89 g/mol
Exact Mass405.14
IUPAC Name1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea
SMILESCc1nc2c(cc1NC(=O)Nc1cccc(Cl)c1)nc(C)n2Cc1ccccc1
InChIInChI=1S/C22H20ClN5O/c1-14-19(27-22(29)26-18-10-6-9-17(23)11-18)12-20-21(24-14)28(15(2)25-20)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H2,26,27,29)
InChIKeyYGRJOROUCPDFBY-UHFFFAOYSA-N
XLogP5.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-butyl-3-[(2-chlorophenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212358
1-[3-[(3-chlorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-3-phenylurea
CID 1174061
1-[2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(3-chlorophenyl)urea
CID 3212343
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-phenylurea
CID 3205884
1-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-3-(4-chlorophenyl)urea
CID 3205887
3-chloro-N-[3-[(4-methoxyphenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]benzamide
CID 1434264
1-[3-[[4-(3-acetylphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]-3-ethylurea
CID 1437865
1-ethyl-3-[3-[[4-(2-methoxyphenyl)phenyl]methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]urea
CID 1437823
1-[3-[(4-bromophenyl)methyl]-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3197696
N-(3-benzyl-2-butyl-5-methylimidazo[4,5-b]pyridin-6-yl)-4-chlorobenzamide
CID 3205882
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea?
The IUPAC name of 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea (CID 1437811) is 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea is Cc1nc2c(cc1NC(=O)Nc1cccc(Cl)c1)nc(C)n2Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea?
The InChIKey is YGRJOROUCPDFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O/c1-14-19(27-22(29)26-18-10-6-9-17(23)11-18)12-20-21(24-14)28(15(2)25-20)13-16-7-4-3-5-8-16/h3-12H,13H2,1-2H3,(H2,26,27,29).
What are the key properties of 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea?
1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea has a molecular weight of 405.89 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2,5-dimethylimidazo[4,5-b]pyridin-6-yl)-3-(3-chlorophenyl)urea is sourced from PubChem (CID 1437811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).