1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea

C22H25FN4O2 — CID 24855699

IUPAC1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
SMILESCOc1cc(NC(=O)NC(C)(C)Cc2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H25FN4O2/c1-15-13-27(14-24-15)19-10-9-18(11-20(19)29-4)25-21(28)26-22(2,3)12-16-5-7-17(23)8-6-16/h5-11,13-14H,12H2,1-4H3,(H2,25,26,28)
InChIKeyVYSAOEXGXIBLJX-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.47
Rot. Bonds6

About 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea

1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea (PubChem CID 24855699) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
PubChem CID24855699
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
SMILESCOc1cc(NC(=O)NC(C)(C)Cc2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H25FN4O2/c1-15-13-27(14-24-15)19-10-9-18(11-20(19)29-4)25-21(28)26-22(2,3)12-16-5-7-17(23)8-6-16/h5-11,13-14H,12H2,1-4H3,(H2,25,26,28)
InChIKeyVYSAOEXGXIBLJX-UHFFFAOYSA-N
XLogP4.47
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea
CID 24855696
3-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]benzamide
CID 67807911
2-[3,5-bis(trifluoromethyl)phenyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]acetamide
CID 72543944
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(3-phenylpropyl)urea
CID 24855735
methyl 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carboxylate
CID 70271568
4-bromo-2-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
CID 70269858
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)methanesulfonamide
CID 67702026
1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea;2,2,2-trifluoroacetic acid
CID 68594242
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
methyl 3-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-1-[(3,4,5-trifluorophenyl)methyl]pyrazole-5-carboxylate
CID 46216604
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 67414569

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea (CID 24855699) is 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea is COc1cc(NC(=O)NC(C)(C)Cc2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea?
The InChIKey is VYSAOEXGXIBLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15-13-27(14-24-15)19-10-9-18(11-20(19)29-4)25-21(28)26-22(2,3)12-16-5-7-17(23)8-6-16/h5-11,13-14H,12H2,1-4H3,(H2,25,26,28).
What are the key properties of 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea?
1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea has a molecular weight of 396.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]urea is sourced from PubChem (CID 24855699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).