(5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone

C25H22FN3O3 — CID 59327061

IUPAC(5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2cc(F)ccc21
InChIInChI=1S/C25H22FN3O3/c1-29-22-9-6-18(26)15-21(22)28-24(29)23(30)17-4-7-19(8-5-17)32-25-20(3-2-12-27-25)16-10-13-31-14-11-16/h2-9,12,15-16H,10-11,13-14H2,1H3
InChIKeyBMGGNYUTNDARHG-UHFFFAOYSA-N
MW431.47 g/mol
LogP5.02
Rot. Bonds5

About (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone

(5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59327061) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59327061
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name(5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESCn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2cc(F)ccc21
InChIInChI=1S/C25H22FN3O3/c1-29-22-9-6-18(26)15-21(22)28-24(29)23(30)17-4-7-19(8-5-17)32-25-20(3-2-12-27-25)16-10-13-31-14-11-16/h2-9,12,15-16H,10-11,13-14H2,1H3
InChIKeyBMGGNYUTNDARHG-UHFFFAOYSA-N
XLogP5.02
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59327061) is (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone is Cn1c(C(=O)c2ccc(Oc3ncccc3C3CCOCC3)cc2)nc2cc(F)ccc21.
What is the InChIKey of (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is BMGGNYUTNDARHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-29-22-9-6-18(26)15-21(22)28-24(29)23(30)17-4-7-19(8-5-17)32-25-20(3-2-12-27-25)16-10-13-31-14-11-16/h2-9,12,15-16H,10-11,13-14H2,1H3.
What are the key properties of (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
(5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 431.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-methylbenzimidazol-2-yl)-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59327061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).