2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine

C26H23FN4O3 — CID 46865569

IUPAC2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2ccc(-c3cnc(C)o3)c(OC)c2)c2nc(-c3ccc(F)cc3)n(C)c2c1
InChIInChI=1S/C26H23FN4O3/c1-15-28-14-24(34-15)20-10-9-18(11-23(20)33-4)29-21-12-19(32-3)13-22-25(21)30-26(31(22)2)16-5-7-17(27)8-6-16/h5-14,29H,1-4H3
InChIKeyFLABTFPLVQITIY-UHFFFAOYSA-N
MW458.49 g/mol
LogP6.10
Rot. Bonds6

About 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine

2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine (PubChem CID 46865569) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine
PubChem CID46865569
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine
SMILESCOc1cc(Nc2ccc(-c3cnc(C)o3)c(OC)c2)c2nc(-c3ccc(F)cc3)n(C)c2c1
InChIInChI=1S/C26H23FN4O3/c1-15-28-14-24(34-15)20-10-9-18(11-23(20)33-4)29-21-12-19(32-3)13-22-25(21)30-26(31(22)2)16-5-7-17(27)8-6-16/h5-14,29H,1-4H3
InChIKeyFLABTFPLVQITIY-UHFFFAOYSA-N
XLogP6.10
TPSA74.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine (CID 46865569) is 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine is COc1cc(Nc2ccc(-c3cnc(C)o3)c(OC)c2)c2nc(-c3ccc(F)cc3)n(C)c2c1.
What is the InChIKey of 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine?
The InChIKey is FLABTFPLVQITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-15-28-14-24(34-15)20-10-9-18(11-23(20)33-4)29-21-12-19(32-3)13-22-25(21)30-26(31(22)2)16-5-7-17(27)8-6-16/h5-14,29H,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine?
2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine has a molecular weight of 458.49 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-methoxy-N-[3-methoxy-4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-methylbenzimidazol-4-amine is sourced from PubChem (CID 46865569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).