1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea

C18H15Cl3N4O — CID 24612413

IUPAC1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
SMILESCn1ccnc1C(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl3N4O/c1-25-9-8-22-17(25)16(11-2-4-12(19)5-3-11)24-18(26)23-13-6-7-14(20)15(21)10-13/h2-10,16H,1H3,(H2,23,24,26)
InChIKeyIACBKOMASUPUKG-UHFFFAOYSA-N
MW409.70 g/mol
LogP5.29
Rot. Bonds4

About 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea

1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea (PubChem CID 24612413) has the molecular formula C18H15Cl3N4O and a molecular weight of 409.70 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
PubChem CID24612413
Molecular FormulaC18H15Cl3N4O
Molecular Weight409.70 g/mol
Exact Mass408.03
IUPAC Name1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea
SMILESCn1ccnc1C(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H15Cl3N4O/c1-25-9-8-22-17(25)16(11-2-4-12(19)5-3-11)24-18(26)23-13-6-7-14(20)15(21)10-13/h2-10,16H,1H3,(H2,23,24,26)
InChIKeyIACBKOMASUPUKG-UHFFFAOYSA-N
XLogP5.29
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.70
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 25325163
1-(3-chlorophenyl)-3-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430449
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
1-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(2-fluorophenyl)urea
CID 41430470
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(1-phenylethyl)urea
CID 42954342
1-(3-chlorophenyl)-3-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41036758
2-(4-chlorophenyl)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 9247935
1-(4-chlorophenyl)-3-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 41430473
1-(4-chlorophenyl)-3-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 17489943
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-cyclohexylurea
CID 110429557
1-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 25358086
1-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-hydroxypropyl)urea
CID 94149099

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea (CID 24612413) is 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea is Cn1ccnc1C(NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is IACBKOMASUPUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N4O/c1-25-9-8-22-17(25)16(11-2-4-12(19)5-3-11)24-18(26)23-13-6-7-14(20)15(21)10-13/h2-10,16H,1H3,(H2,23,24,26).
What are the key properties of 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea?
1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 409.70 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 24612413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).