1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

C21H20N4O3 — CID 58547884

IUPAC1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2C2=CCOCC2)C1
InChIInChI=1S/C21H20N4O3/c26-21(19-23-17-5-1-2-6-18(17)24-19)25-12-15(13-25)28-20-16(4-3-9-22-20)14-7-10-27-11-8-14/h1-7,9,15H,8,10-13H2,(H,23,24)
InChIKeyOUJZUWWYCTWMFP-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.66
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (PubChem CID 58547884) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
PubChem CID58547884
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2C2=CCOCC2)C1
InChIInChI=1S/C21H20N4O3/c26-21(19-23-17-5-1-2-6-18(17)24-19)25-12-15(13-25)28-20-16(4-3-9-22-20)14-7-10-27-11-8-14/h1-7,9,15H,8,10-13H2,(H,23,24)
InChIKeyOUJZUWWYCTWMFP-UHFFFAOYSA-N
XLogP2.66
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59327026
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CID 59327035
CID 59327035
CID 44528762
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CID 45271363
CID 45271363
CID 57400700
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CID 71724954
CID 71724954
CID 71724966
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CID 162677278

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone (CID 58547884) is 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(Oc2ncccc2C2=CCOCC2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
The InChIKey is OUJZUWWYCTWMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c26-21(19-23-17-5-1-2-6-18(17)24-19)25-12-15(13-25)28-20-16(4-3-9-22-20)14-7-10-27-11-8-14/h1-7,9,15H,8,10-13H2,(H,23,24).
What are the key properties of 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone has a molecular weight of 376.42 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone is sourced from PubChem (CID 58547884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).