1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea

C21H18N4O — CID 4825752

IUPAC1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C21H18N4O/c1-15-10-12-17(13-11-15)22-21(26)24-20-19(16-7-3-2-4-8-16)23-18-9-5-6-14-25(18)20/h2-14H,1H3,(H2,22,24,26)
InChIKeyHMCZAOLHKQCLQL-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.95
Rot. Bonds3

About 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea

1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea (PubChem CID 4825752) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
PubChem CID4825752
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1
InChIInChI=1S/C21H18N4O/c1-15-10-12-17(13-11-15)22-21(26)24-20-19(16-7-3-2-4-8-16)23-18-9-5-6-14-25(18)20/h2-14H,1H3,(H2,22,24,26)
InChIKeyHMCZAOLHKQCLQL-UHFFFAOYSA-N
XLogP4.95
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847541
1-(4-chlorophenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694832
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510
1-(3,4-dimethylphenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694834
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 134050030
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-phenylbutanamide
CID 42694065
2-methyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 965390
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclobutanecarboxamide
CID 42694066
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
1-(2,5-dimethoxyphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847606

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea (CID 4825752) is 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea is Cc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The InChIKey is HMCZAOLHKQCLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15-10-12-17(13-11-15)22-21(26)24-20-19(16-7-3-2-4-8-16)23-18-9-5-6-14-25(18)20/h2-14H,1H3,(H2,22,24,26).
What are the key properties of 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea has a molecular weight of 342.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea is sourced from PubChem (CID 4825752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).