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

C15H12F2N4O2 — CID 169423120

IUPAC1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C1N=C2C=CC(CNC(=O)Nc3ccc(F)c(F)c3)C=C2N1
InChIInChI=1S/C15H12F2N4O2/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/h1-6,8H,7H2,(H,21,23)(H2,18,19,22)
InChIKeyJSOVQDZKBRRHNF-UHFFFAOYSA-N
MW318.28 g/mol
LogP2.32
Rot. Bonds3

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

1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea (PubChem CID 169423120) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea
PubChem CID169423120
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Name1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea
SMILESO=C1N=C2C=CC(CNC(=O)Nc3ccc(F)c(F)c3)C=C2N1
InChIInChI=1S/C15H12F2N4O2/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/h1-6,8H,7H2,(H,21,23)(H2,18,19,22)
InChIKeyJSOVQDZKBRRHNF-UHFFFAOYSA-N
XLogP2.32
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea (CID 169423120) is 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea is O=C1N=C2C=CC(CNC(=O)Nc3ccc(F)c(F)c3)C=C2N1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea?
The InChIKey is JSOVQDZKBRRHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/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/h1-6,8H,7H2,(H,21,23)(H2,18,19,22).
What are the key properties of 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea?
1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea has a molecular weight of 318.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]urea is sourced from PubChem (CID 169423120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).