1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea

C18H16F2N4O — CID 71863034

IUPAC1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C18H16F2N4O/c1-24-8-7-21-16(24)11-22-18(25)23-17-14(9-13(19)10-15(17)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,22,23,25)
InChIKeyQPBQSMXTBWEOFT-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.69
Rot. Bonds4

About 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea

1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 71863034) has the molecular formula C18H16F2N4O and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID71863034
Molecular FormulaC18H16F2N4O
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC Name1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
SMILESCn1ccnc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1
InChIInChI=1S/C18H16F2N4O/c1-24-8-7-21-16(24)11-22-18(25)23-17-14(9-13(19)10-15(17)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,22,23,25)
InChIKeyQPBQSMXTBWEOFT-UHFFFAOYSA-N
XLogP3.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 110488866
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
(2S)-N-(2,4-difluoro-6-phenylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 97065122
2-[4-[(1-methylimidazol-2-yl)methylcarbamoylamino]phenyl]acetic acid
CID 63293690
1-[3-(1-hydroxyethyl)phenyl]-3-[(1-methylimidazol-2-yl)methyl]urea
CID 63295753
2-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294408
2-chloro-5-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294627
2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
3-(2-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 45228340
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea (CID 71863034) is 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea is Cn1ccnc1CNC(=O)Nc1c(F)cc(F)cc1-c1ccccc1.
What is the InChIKey of 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is QPBQSMXTBWEOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O/c1-24-8-7-21-16(24)11-22-18(25)23-17-14(9-13(19)10-15(17)20)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea?
1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 342.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-6-phenylphenyl)-3-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 71863034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).