[1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone

C27H22FN3O4 — CID 46289048

IUPAC[1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone
SMILESCOc1cccc(-c2nc(Cn3c(C(=O)c4cccc(F)c4)nc4ccccc43)c(C)o2)c1OC
InChIInChI=1S/C27H22FN3O4/c1-16-21(30-27(35-16)19-10-7-13-23(33-2)25(19)34-3)15-31-22-12-5-4-11-20(22)29-26(31)24(32)17-8-6-9-18(28)14-17/h4-14H,15H2,1-3H3
InChIKeySTTXPLPOCBQWAG-UHFFFAOYSA-N
MW471.49 g/mol
LogP5.44
Rot. Bonds7

About [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone

[1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone (PubChem CID 46289048) has the molecular formula C27H22FN3O4 and a molecular weight of 471.49 g/mol. Its IUPAC name is [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone
PubChem CID46289048
Molecular FormulaC27H22FN3O4
Molecular Weight471.49 g/mol
Exact Mass471.16
IUPAC Name[1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone
SMILESCOc1cccc(-c2nc(Cn3c(C(=O)c4cccc(F)c4)nc4ccccc43)c(C)o2)c1OC
InChIInChI=1S/C27H22FN3O4/c1-16-21(30-27(35-16)19-10-7-13-23(33-2)25(19)34-3)15-31-22-12-5-4-11-20(22)29-26(31)24(32)17-8-6-9-18(28)14-17/h4-14H,15H2,1-3H3
InChIKeySTTXPLPOCBQWAG-UHFFFAOYSA-N
XLogP5.44
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone 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-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone (CID 46289048) is [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone is COc1cccc(-c2nc(Cn3c(C(=O)c4cccc(F)c4)nc4ccccc43)c(C)o2)c1OC.
What is the InChIKey of [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone?
The InChIKey is STTXPLPOCBQWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O4/c1-16-21(30-27(35-16)19-10-7-13-23(33-2)25(19)34-3)15-31-22-12-5-4-11-20(22)29-26(31)24(32)17-8-6-9-18(28)14-17/h4-14H,15H2,1-3H3.
What are the key properties of [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone?
[1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone has a molecular weight of 471.49 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2,3-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 46289048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).