1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

C16H15FN4O2 — CID 50797469

IUPAC1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc1F
InChIInChI=1S/C16H15FN4O2/c1-8-3-4-10(6-11(8)17)18-15(22)19-12-7-14-13(5-9(12)2)20-16(23)21-14/h3-7H,1-2H3,(H2,18,19,22)(H2,20,21,23)
InChIKeyTVWLZYLRDBINAW-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.26
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 50797469) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID50797469
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESCc1ccc(NC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc1F
InChIInChI=1S/C16H15FN4O2/c1-8-3-4-10(6-11(8)17)18-15(22)19-12-7-14-13(5-9(12)2)20-16(23)21-14/h3-7H,1-2H3,(H2,18,19,22)(H2,20,21,23)
InChIKeyTVWLZYLRDBINAW-UHFFFAOYSA-N
XLogP3.26
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)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

3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
1-(3,4-dimethoxyphenyl)-3-(3-fluoro-4-methylphenyl)urea
CID 971209
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
5-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 146080739
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
5-[1-(3,4-dimethylanilino)ethenylamino]-1,3-dihydrobenzimidazol-2-one
CID 155113943

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 50797469) is 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is Cc1ccc(NC(=O)Nc2cc3[nH]c(=O)[nH]c3cc2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is TVWLZYLRDBINAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-8-3-4-10(6-11(8)17)18-15(22)19-12-7-14-13(5-9(12)2)20-16(23)21-14/h3-7H,1-2H3,(H2,18,19,22)(H2,20,21,23).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 314.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 50797469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).