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

C22H20N4O — CID 50847541

IUPAC1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1C
InChIInChI=1S/C22H20N4O/c1-15-11-12-18(14-16(15)2)23-22(27)25-21-20(17-8-4-3-5-9-17)24-19-10-6-7-13-26(19)21/h3-14H,1-2H3,(H2,23,25,27)
InChIKeyOYCCRMDNTNVFIY-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.26
Rot. Bonds3

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

1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea (PubChem CID 50847541) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
PubChem CID50847541
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
SMILESCc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1C
InChIInChI=1S/C22H20N4O/c1-15-11-12-18(14-16(15)2)23-22(27)25-21-20(17-8-4-3-5-9-17)24-19-10-6-7-13-26(19)21/h3-14H,1-2H3,(H2,23,25,27)
InChIKeyOYCCRMDNTNVFIY-UHFFFAOYSA-N
XLogP5.26
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694834
1-(4-methylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 4825752
2-methyl-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 965390
1-(4-chlorophenyl)-3-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 42694832
1-(2,5-dimethoxyphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea
CID 50847606
ethyl 4-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847843
ethyl 3-[(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)carbamoylamino]benzoate
CID 50847842
1-(2-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 50847939
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
1-(3,4-dimethylphenyl)-3-naphthalen-2-ylurea
CID 108894077
1-cyclopentyl-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]urea
CID 50847510

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea (CID 50847541) is 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea is Cc1ccc(NC(=O)Nc2c(-c3ccccc3)nc3ccccn23)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
The InChIKey is OYCCRMDNTNVFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-15-11-12-18(14-16(15)2)23-22(27)25-21-20(17-8-4-3-5-9-17)24-19-10-6-7-13-26(19)21/h3-14H,1-2H3,(H2,23,25,27).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea?
1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea has a molecular weight of 356.43 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(2-phenylimidazo[1,2-a]pyridin-3-yl)urea is sourced from PubChem (CID 50847541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).