1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea

C15H19FN4O — CID 118766238

IUPAC1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCCN(Cc1nccn1C)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C15H19FN4O/c1-4-20(10-14-17-7-8-19(14)3)15(21)18-12-5-6-13(16)11(2)9-12/h5-9H,4,10H2,1-3H3,(H,18,21)
InChIKeyRTTAKTNBGNNZTM-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.92
Rot. Bonds4

About 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea

1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 118766238) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID118766238
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCCN(Cc1nccn1C)C(=O)Nc1ccc(F)c(C)c1
InChIInChI=1S/C15H19FN4O/c1-4-20(10-14-17-7-8-19(14)3)15(21)18-12-5-6-13(16)11(2)9-12/h5-9H,4,10H2,1-3H3,(H,18,21)
InChIKeyRTTAKTNBGNNZTM-UHFFFAOYSA-N
XLogP2.92
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 119061413
N-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474626
3-(3,4-dichlorophenyl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
CID 71902046
N-(3,4-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474605
1-[(1-methylimidazol-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)-1-propylurea
CID 72862791
1-benzyl-3-(3,4-difluorophenyl)-1-ethylurea
CID 108989076
3-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72849632
1-(2-hydroxyethyl)-1-[(1-methylimidazol-2-yl)methyl]-3-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]urea
CID 118786473
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605
1,1-diethyl-3-(3-fluoro-4-hydroxyphenyl)urea
CID 79161967
1-[(1-methylimidazol-2-yl)methyl]-3-[4-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-1-propylurea
CID 125155347

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea (CID 118766238) is 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea is CCN(Cc1nccn1C)C(=O)Nc1ccc(F)c(C)c1.
What is the InChIKey of 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is RTTAKTNBGNNZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-4-20(10-14-17-7-8-19(14)3)15(21)18-12-5-6-13(16)11(2)9-12/h5-9H,4,10H2,1-3H3,(H,18,21).
What are the key properties of 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea?
1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 290.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluoro-3-methylphenyl)-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 118766238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).