2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine

C25H22FN5O — CID 46850910

IUPAC2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
SMILESCc1ncc(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C(C)C)cn2)o1
InChIInChI=1S/C25H22FN5O/c1-15(2)31-22-6-4-5-21(24(22)30-25(31)17-7-9-18(26)10-8-17)29-19-11-12-20(28-13-19)23-14-27-16(3)32-23/h4-15,29H,1-3H3
InChIKeyGXJNVUVZKMMZLF-UHFFFAOYSA-N
MW427.48 g/mol
LogP6.53
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine

2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 46850910) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
PubChem CID46850910
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
SMILESCc1ncc(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C(C)C)cn2)o1
InChIInChI=1S/C25H22FN5O/c1-15(2)31-22-6-4-5-21(24(22)30-25(31)17-7-9-18(26)10-8-17)29-19-11-12-20(28-13-19)23-14-27-16(3)32-23/h4-15,29H,1-3H3
InChIKeyGXJNVUVZKMMZLF-UHFFFAOYSA-N
XLogP6.53
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine (CID 46850910) is 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine is Cc1ncc(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C(C)C)cn2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is GXJNVUVZKMMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-15(2)31-22-6-4-5-21(24(22)30-25(31)17-7-9-18(26)10-8-17)29-19-11-12-20(28-13-19)23-14-27-16(3)32-23/h4-15,29H,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine has a molecular weight of 427.48 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine is sourced from PubChem (CID 46850910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).