1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea

C22H19FN4O3 — CID 50797475

IUPAC1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)Nc3ccccc3F)cc21
InChIInChI=1S/C22H19FN4O3/c1-26-18-12-17(25-21(28)24-16-11-7-6-10-15(16)23)20(13-19(18)27(2)22(26)29)30-14-8-4-3-5-9-14/h3-13H,1-2H3,(H2,24,25,28)
InChIKeyPSBWRVHHKILEQT-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.45
Rot. Bonds4

About 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea

1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea (PubChem CID 50797475) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea
PubChem CID50797475
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)Nc3ccccc3F)cc21
InChIInChI=1S/C22H19FN4O3/c1-26-18-12-17(25-21(28)24-16-11-7-6-10-15(16)23)20(13-19(18)27(2)22(26)29)30-14-8-4-3-5-9-14/h3-13H,1-2H3,(H2,24,25,28)
InChIKeyPSBWRVHHKILEQT-UHFFFAOYSA-N
XLogP4.45
TPSA77.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)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-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea?
The IUPAC name of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea (CID 50797475) is 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea is Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NC(=O)Nc3ccccc3F)cc21.
What is the InChIKey of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea?
The InChIKey is PSBWRVHHKILEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-26-18-12-17(25-21(28)24-16-11-7-6-10-15(16)23)20(13-19(18)27(2)22(26)29)30-14-8-4-3-5-9-14/h3-13H,1-2H3,(H2,24,25,28).
What are the key properties of 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea?
1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea has a molecular weight of 406.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3-(2-fluorophenyl)urea is sourced from PubChem (CID 50797475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).