1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea

C16H14Cl2N4O — CID 11046301

IUPAC1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea
SMILESO=C(NC1=NCCN1c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O/c17-13-7-6-11(10-14(13)18)20-16(23)21-15-19-8-9-22(15)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,19,20,21,23)
InChIKeyHCBSXYCCLFRRTJ-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.99
Rot. Bonds2

About 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea

1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea (PubChem CID 11046301) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea
PubChem CID11046301
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea
SMILESO=C(NC1=NCCN1c1ccccc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl2N4O/c17-13-7-6-11(10-14(13)18)20-16(23)21-15-19-8-9-22(15)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,19,20,21,23)
InChIKeyHCBSXYCCLFRRTJ-UHFFFAOYSA-N
XLogP3.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3,4-dichlorophenyl)-3-(4-hydroxyphenyl)urea
CID 639709
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
1-(1-benzylpyrrolidin-3-yl)-3-(3,4-dichlorophenyl)urea
CID 24528876
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057
(2R)-N-[4-(2-amino-4,5-dihydroimidazol-1-yl)phenyl]-2-[(4-chlorophenyl)carbamoylamino]-2-phenylacetamide
CID 11754112
4-benzyl-N-(3,4-dichlorophenyl)piperazin-4-ium-1-carboxamide
CID 7359826
1-(benzenecarbonothioylamino)-3-(3,4-dichlorophenyl)urea
CID 4198960
1-(3,4-dichlorophenyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 9350005
1-(3-chloro-4-methylphenyl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
CID 70940291

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea (CID 11046301) is 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea is O=C(NC1=NCCN1c1ccccc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea?
The InChIKey is HCBSXYCCLFRRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c17-13-7-6-11(10-14(13)18)20-16(23)21-15-19-8-9-22(15)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H2,19,20,21,23).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea?
1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea has a molecular weight of 349.22 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(1-phenyl-4,5-dihydroimidazol-2-yl)urea is sourced from PubChem (CID 11046301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).