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

C17H17ClN4O — CID 88972896

IUPAC1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C3=NCCN3Cl)c2)c1
InChIInChI=1S/C17H17ClN4O/c1-12-4-2-6-14(10-12)20-17(23)21-15-7-3-5-13(11-15)16-19-8-9-22(16)18/h2-7,10-11H,8-9H2,1H3,(H2,20,21,23)
InChIKeyLEAWKRQFGZMFRV-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.86
Rot. Bonds3

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

1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 88972896) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea
PubChem CID88972896
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2cccc(C3=NCCN3Cl)c2)c1
InChIInChI=1S/C17H17ClN4O/c1-12-4-2-6-14(10-12)20-17(23)21-15-7-3-5-13(11-15)16-19-8-9-22(16)18/h2-7,10-11H,8-9H2,1H3,(H2,20,21,23)
InChIKeyLEAWKRQFGZMFRV-UHFFFAOYSA-N
XLogP3.86
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylphenyl)-3-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 88972849
1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940291
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940292
1-(3-methylphenyl)-3-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 46387996
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
1-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-3-(2-nitrophenyl)urea
CID 70940371
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-hydroxy-3-(3-methylphenyl)urea
CID 10034960
1-(3,4-dimethylphenyl)-3-(3-methylphenyl)urea
CID 2985670
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea (CID 88972896) is 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2cccc(C3=NCCN3Cl)c2)c1.
What is the InChIKey of 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is LEAWKRQFGZMFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-12-4-2-6-14(10-12)20-17(23)21-15-7-3-5-13(11-15)16-19-8-9-22(16)18/h2-7,10-11H,8-9H2,1H3,(H2,20,21,23).
What are the key properties of 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea?
1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 328.80 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-chloro-4,5-dihydroimidazol-2-yl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 88972896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).