1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea

C16H15ClN6O — CID 121112797

IUPAC1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1ccc(NC(=O)Nc2cnc(-n3ccnc3C)nc2)c(Cl)c1
InChIInChI=1S/C16H15ClN6O/c1-10-3-4-14(13(17)7-10)22-16(24)21-12-8-19-15(20-9-12)23-6-5-18-11(23)2/h3-9H,1-2H3,(H2,21,22,24)
InChIKeyABUKOYIYPKEKQZ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.58
Rot. Bonds3

About 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea

1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea (PubChem CID 121112797) has the molecular formula C16H15ClN6O and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
PubChem CID121112797
Molecular FormulaC16H15ClN6O
Molecular Weight342.79 g/mol
Exact Mass342.10
IUPAC Name1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
SMILESCc1ccc(NC(=O)Nc2cnc(-n3ccnc3C)nc2)c(Cl)c1
InChIInChI=1S/C16H15ClN6O/c1-10-3-4-14(13(17)7-10)22-16(24)21-12-8-19-15(20-9-12)23-6-5-18-11(23)2/h3-9H,1-2H3,(H2,21,22,24)
InChIKeyABUKOYIYPKEKQZ-UHFFFAOYSA-N
XLogP3.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea
CID 71789920
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
4-iodo-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]benzamide
CID 122301151
1-(2-chloro-5-methylphenyl)-3-(2-chloropyrimidin-5-yl)urea;methane
CID 167695271
1-(2,4-dimethoxyphenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565145
1-(2,4-dimethylphenyl)-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 91968079
1-(2-chloro-4-methylphenyl)-3-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]urea
CID 122316271
1-(2-chloro-4-methylphenyl)-3-cyclobutylurea
CID 115617867
4-methyl-N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 122301120
N-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]oxolane-3-carboxamide
CID 122301072
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea (CID 121112797) is 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea is Cc1ccc(NC(=O)Nc2cnc(-n3ccnc3C)nc2)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
The InChIKey is ABUKOYIYPKEKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O/c1-10-3-4-14(13(17)7-10)22-16(24)21-12-8-19-15(20-9-12)23-6-5-18-11(23)2/h3-9H,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea?
1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea has a molecular weight of 342.79 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-3-[2-(2-methylimidazol-1-yl)pyrimidin-5-yl]urea is sourced from PubChem (CID 121112797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).