1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea

C18H19ClN4O — CID 70940291

IUPAC1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(C3=NCCN3C)c2)cc1Cl
InChIInChI=1S/C18H19ClN4O/c1-12-6-7-15(11-16(12)19)22-18(24)21-14-5-3-4-13(10-14)17-20-8-9-23(17)2/h3-7,10-11H,8-9H2,1-2H3,(H2,21,22,24)
InChIKeyWGMAAGSWVGZMJF-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.98
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea

1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea (PubChem CID 70940291) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
PubChem CID70940291
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
SMILESCc1ccc(NC(=O)Nc2cccc(C3=NCCN3C)c2)cc1Cl
InChIInChI=1S/C18H19ClN4O/c1-12-6-7-15(11-16(12)19)22-18(24)21-14-5-3-4-13(10-14)17-20-8-9-23(17)2/h3-7,10-11H,8-9H2,1-2H3,(H2,21,22,24)
InChIKeyWGMAAGSWVGZMJF-UHFFFAOYSA-N
XLogP3.98
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940292
1-(3-chloro-4-methylphenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;hydrochloride
CID 66919861
1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 88972896
1-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(2-nitrophenyl)urea
CID 70940371
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-(4-acetylphenyl)-3-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 88972849
1-(3-chloro-4-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387989
1-(3-chloro-4-methylphenyl)-3-(4-phenylphenyl)urea
CID 108866984
1-[3-(2-amino-5-phenyl-3H-pyrrol-4-yl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 163481561
1-[3-(aminomethyl)phenyl]-3-(3-chloro-4-methylphenyl)urea
CID 63254609
1-(3-chloro-4-methylphenyl)-3-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122296300
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea (CID 70940291) is 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea is Cc1ccc(NC(=O)Nc2cccc(C3=NCCN3C)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
The InChIKey is WGMAAGSWVGZMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-12-6-7-15(11-16(12)19)22-18(24)21-14-5-3-4-13(10-14)17-20-8-9-23(17)2/h3-7,10-11H,8-9H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea has a molecular weight of 342.83 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea is sourced from PubChem (CID 70940291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).