1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea

C19H20N4O — CID 22577917

IUPAC1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ncc(-c3ccccc3)n2C)c1
InChIInChI=1S/C19H20N4O/c1-13-9-10-14(2)16(11-13)21-19(24)22-18-20-12-17(23(18)3)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,20,21,22,24)
InChIKeyQPXSDOYXTNHQSW-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.35
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea

1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea (PubChem CID 22577917) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
PubChem CID22577917
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
SMILESCc1ccc(C)c(NC(=O)Nc2ncc(-c3ccccc3)n2C)c1
InChIInChI=1S/C19H20N4O/c1-13-9-10-14(2)16(11-13)21-19(24)22-18-20-12-17(23(18)3)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,20,21,22,24)
InChIKeyQPXSDOYXTNHQSW-UHFFFAOYSA-N
XLogP4.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22577919
1-(2,5-dimethylphenyl)-3-(5-phenyl-1H-pyrazol-3-yl)urea
CID 35591898
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
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1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-[2-methyl-5-[[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]phenyl]propanamide
CID 1451070
(2S)-N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 42353248
1-N-[(5-methylfuran-2-yl)methyl]-2-N-(1-methyl-5-phenylimidazol-2-yl)benzene-1,2-dicarboxamide
CID 3594007
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(2,5-dimethylphenyl)urea
CID 167990779
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
1-(2,5-dimethylphenyl)-3-quinolin-8-ylurea
CID 48742637

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea (CID 22577917) is 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea is Cc1ccc(C)c(NC(=O)Nc2ncc(-c3ccccc3)n2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea?
The InChIKey is QPXSDOYXTNHQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-9-10-14(2)16(11-13)21-19(24)22-18-20-12-17(23(18)3)15-7-5-4-6-8-15/h4-12H,1-3H3,(H2,20,21,22,24).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea?
1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea has a molecular weight of 320.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea is sourced from PubChem (CID 22577917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).