5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole

C28H26FN3O2 — CID 90691264

IUPAC5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole
SMILESCOc1cc(-c2cccc3c2nc(-c2ccc(F)cc2)n3C(C)C)ccc1-c1oc(C)nc1C
InChIInChI=1S/C28H26FN3O2/c1-16(2)32-24-8-6-7-22(26(24)31-28(32)19-9-12-21(29)13-10-19)20-11-14-23(25(15-20)33-5)27-17(3)30-18(4)34-27/h6-16H,1-5H3
InChIKeyPHLCTLGSGQEMMI-UHFFFAOYSA-N
MW455.53 g/mol
LogP7.37
Rot. Bonds5

About 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole

5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole (PubChem CID 90691264) has the molecular formula C28H26FN3O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole
PubChem CID90691264
Molecular FormulaC28H26FN3O2
Molecular Weight455.53 g/mol
Exact Mass455.20
IUPAC Name5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole
SMILESCOc1cc(-c2cccc3c2nc(-c2ccc(F)cc2)n3C(C)C)ccc1-c1oc(C)nc1C
InChIInChI=1S/C28H26FN3O2/c1-16(2)32-24-8-6-7-22(26(24)31-28(32)19-9-12-21(29)13-10-19)20-11-14-23(25(15-20)33-5)27-17(3)30-18(4)34-27/h6-16H,1-5H3
InChIKeyPHLCTLGSGQEMMI-UHFFFAOYSA-N
XLogP7.37
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.53
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 53360055
2-(Benzimidazol-1-yl)-1-[4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]ethanone
CID 70802798
1-[(3S)-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-methylpiperazin-1-yl]-2-[6-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 70802910
1-[(3S)-4-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-3-methylpiperazin-1-yl]-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 70802913
1-[4-[3-Methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 118728958
1-[4-[3-Methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-2-[6-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 118728959
[2-Methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
CID 874125
2-(2-benzofuranyl)-N-tert-butyl-2-[2-(4-phenylphenyl)-1-benzimidazolyl]acetamide
CID 53383229
1-[4-[3-Methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-2-[4-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 118728957
1-[4-[3-Methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]piperazin-1-yl]-2-[7-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 118728960
2-(1-Benzhydrylbenzimidazol-2-yl)-1,3-benzoxazole
CID 7109592
1-{[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-benzimidazole
CID 56756915

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole?
The IUPAC name of 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole (CID 90691264) is 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole.
What is the SMILES notation for 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole?
The canonical SMILES for 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole is COc1cc(-c2cccc3c2nc(-c2ccc(F)cc2)n3C(C)C)ccc1-c1oc(C)nc1C.
What is the InChIKey of 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole?
The InChIKey is PHLCTLGSGQEMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2/c1-16(2)32-24-8-6-7-22(26(24)31-28(32)19-9-12-21(29)13-10-19)20-11-14-23(25(15-20)33-5)27-17(3)30-18(4)34-27/h6-16H,1-5H3.
What are the key properties of 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole?
5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole has a molecular weight of 455.53 g/mol, XLogP of 7.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-fluorophenyl)-1-propan-2-ylbenzimidazol-4-yl]-2-methoxyphenyl]-2,4-dimethyl-1,3-oxazole is sourced from PubChem (CID 90691264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).