1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea

C16H12Cl2N4O — CID 2778575

IUPAC1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O/c17-14-15(18)22(10-19-14)13-8-6-12(7-9-13)21-16(23)20-11-4-2-1-3-5-11/h1-10H,(H2,20,21,23)
InChIKeyQNUVMHIJWJUVDA-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.82
Rot. Bonds3

About 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea

1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea (PubChem CID 2778575) has the molecular formula C16H12Cl2N4O and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea
PubChem CID2778575
Molecular FormulaC16H12Cl2N4O
Molecular Weight347.21 g/mol
Exact Mass346.04
IUPAC Name1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C16H12Cl2N4O/c17-14-15(18)22(10-19-14)13-8-6-12(7-9-13)21-16(23)20-11-4-2-1-3-5-11/h1-10H,(H2,20,21,23)
InChIKeyQNUVMHIJWJUVDA-UHFFFAOYSA-N
XLogP4.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea?
The IUPAC name of 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea (CID 2778575) is 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(-n2cnc(Cl)c2Cl)cc1.
What is the InChIKey of 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea?
The InChIKey is QNUVMHIJWJUVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O/c17-14-15(18)22(10-19-14)13-8-6-12(7-9-13)21-16(23)20-11-4-2-1-3-5-11/h1-10H,(H2,20,21,23).
What are the key properties of 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea?
1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea has a molecular weight of 347.21 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dichloroimidazol-1-yl)phenyl]-3-phenylurea is sourced from PubChem (CID 2778575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).