1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea

C24H21FN4O2 — CID 151503193

IUPAC1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Cn3ccnc3)c2)c1
InChIInChI=1S/C24H21FN4O2/c1-17-3-2-4-20(13-17)27-24(30)28-21-7-10-23(31-22-8-5-19(25)6-9-22)18(14-21)15-29-12-11-26-16-29/h2-14,16H,15H2,1H3,(H2,27,28,30)
InChIKeyPQWDXKISMQMOSZ-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.82
Rot. Bonds6

About 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea

1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea (PubChem CID 151503193) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea
PubChem CID151503193
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Cn3ccnc3)c2)c1
InChIInChI=1S/C24H21FN4O2/c1-17-3-2-4-20(13-17)27-24(30)28-21-7-10-23(31-22-8-5-19(25)6-9-22)18(14-21)15-29-12-11-26-16-29/h2-14,16H,15H2,1H3,(H2,27,28,30)
InChIKeyPQWDXKISMQMOSZ-UHFFFAOYSA-N
XLogP5.82
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea (CID 151503193) is 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)Nc2ccc(Oc3ccc(F)cc3)c(Cn3ccnc3)c2)c1.
What is the InChIKey of 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea?
The InChIKey is PQWDXKISMQMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-17-3-2-4-20(13-17)27-24(30)28-21-7-10-23(31-22-8-5-19(25)6-9-22)18(14-21)15-29-12-11-26-16-29/h2-14,16H,15H2,1H3,(H2,27,28,30).
What are the key properties of 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea?
1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea has a molecular weight of 416.46 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenoxy)-3-(imidazol-1-ylmethyl)phenyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 151503193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).