1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

C15H12ClFN4O2 — CID 86807539

IUPAC1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12ClFN4O2/c16-10-3-2-9(6-11(10)17)19-14(22)18-7-8-1-4-12-13(5-8)21-15(23)20-12/h1-6H,7H2,(H2,18,19,22)(H2,20,21,23)
InChIKeyIWWZUTXQNFIZNF-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.97
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea

1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (PubChem CID 86807539) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
PubChem CID86807539
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H12ClFN4O2/c16-10-3-2-9(6-11(10)17)19-14(22)18-7-8-1-4-12-13(5-8)21-15(23)20-12/h1-6H,7H2,(H2,18,19,22)(H2,20,21,23)
InChIKeyIWWZUTXQNFIZNF-UHFFFAOYSA-N
XLogP2.97
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea with MolForge

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Related Compounds

4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75454611
1-(3,4-dimethylphenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807518
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
1-(4-chloro-3-fluorophenyl)-3-[[4-[[(4-chloro-3-fluorophenyl)carbamothioylamino]methyl]phenyl]methyl]thiourea
CID 2421054
1-(4-chloro-3-fluorophenyl)-3-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]urea
CID 55747688
1-(4-aminophenyl)-3-[(3-chloro-4-fluorophenyl)methyl]urea
CID 62532764
1-(4-amino-3-chlorophenyl)-3-[(4-fluorophenyl)methyl]urea
CID 108867663
1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea (CID 86807539) is 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
The InChIKey is IWWZUTXQNFIZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c16-10-3-2-9(6-11(10)17)19-14(22)18-7-8-1-4-12-13(5-8)21-15(23)20-12/h1-6H,7H2,(H2,18,19,22)(H2,20,21,23).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea?
1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea has a molecular weight of 334.74 g/mol, XLogP of 2.97, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 86807539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).