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

C25H21F2N5O — CID 67004880

IUPAC6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
SMILESCc1ncc(-c2ccc(Nc3cc(F)cc4c3nc(-c3ccc(F)cc3)n4C(C)C)cn2)o1
InChIInChI=1S/C25H21F2N5O/c1-14(2)32-22-11-18(27)10-21(24(22)31-25(32)16-4-6-17(26)7-5-16)30-19-8-9-20(29-12-19)23-13-28-15(3)33-23/h4-14,30H,1-3H3
InChIKeyQTUFLTJTEGTTIM-UHFFFAOYSA-N
MW445.47 g/mol
LogP6.66
Rot. Bonds5

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

6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine (PubChem CID 67004880) has the molecular formula C25H21F2N5O and a molecular weight of 445.47 g/mol. Its IUPAC name is 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
PubChem CID67004880
Molecular FormulaC25H21F2N5O
Molecular Weight445.47 g/mol
Exact Mass445.17
IUPAC Name6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine
SMILESCc1ncc(-c2ccc(Nc3cc(F)cc4c3nc(-c3ccc(F)cc3)n4C(C)C)cn2)o1
InChIInChI=1S/C25H21F2N5O/c1-14(2)32-22-11-18(27)10-21(24(22)31-25(32)16-4-6-17(26)7-5-16)30-19-8-9-20(29-12-19)23-13-28-15(3)33-23/h4-14,30H,1-3H3
InChIKeyQTUFLTJTEGTTIM-UHFFFAOYSA-N
XLogP6.66
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.47
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The IUPAC name of 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine (CID 67004880) is 6-fluoro-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 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The canonical SMILES for 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine is Cc1ncc(-c2ccc(Nc3cc(F)cc4c3nc(-c3ccc(F)cc3)n4C(C)C)cn2)o1.
What is the InChIKey of 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
The InChIKey is QTUFLTJTEGTTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O/c1-14(2)32-22-11-18(27)10-21(24(22)31-25(32)16-4-6-17(26)7-5-16)30-19-8-9-20(29-12-19)23-13-28-15(3)33-23/h4-14,30H,1-3H3.
What are the key properties of 6-fluoro-2-(4-fluorophenyl)-N-[6-(2-methyl-1,3-oxazol-5-yl)-3-pyridinyl]-1-propan-2-ylbenzimidazol-4-amine?
6-fluoro-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 445.47 g/mol, XLogP of 6.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-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 67004880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).