1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone

C24H21N3O3 — CID 59326858

IUPAC1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21N3O3/c28-22(23-26-20-5-1-2-6-21(20)27-23)17-7-9-18(10-8-17)30-24-19(4-3-13-25-24)16-11-14-29-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,26,27)
InChIKeyNQQHFVCQMJVYTB-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.88
Rot. Bonds5

About 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone

1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59326858) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59326858
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21N3O3/c28-22(23-26-20-5-1-2-6-21(20)27-23)17-7-9-18(10-8-17)30-24-19(4-3-13-25-24)16-11-14-29-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,26,27)
InChIKeyNQQHFVCQMJVYTB-UHFFFAOYSA-N
XLogP4.88
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59326858) is 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2C2CCOCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is NQQHFVCQMJVYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-22(23-26-20-5-1-2-6-21(20)27-23)17-7-9-18(10-8-17)30-24-19(4-3-13-25-24)16-11-14-29-15-12-16/h1-10,13,16H,11-12,14-15H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 399.45 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59326858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).