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

C24H19N3O2 — CID 59327036

IUPAC1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2=CCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N3O2/c28-22(23-26-20-9-3-4-10-21(20)27-23)17-11-13-18(14-12-17)29-24-19(8-5-15-25-24)16-6-1-2-7-16/h3-6,8-15H,1-2,7H2,(H,26,27)
InChIKeyQGBNZOHHUBAGHL-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.55
Rot. Bonds5

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

1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone (PubChem CID 59327036) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
PubChem CID59327036
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ncccc2C2=CCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H19N3O2/c28-22(23-26-20-9-3-4-10-21(20)27-23)17-11-13-18(14-12-17)29-24-19(8-5-15-25-24)16-6-1-2-7-16/h3-6,8-15H,1-2,7H2,(H,26,27)
InChIKeyQGBNZOHHUBAGHL-UHFFFAOYSA-N
XLogP5.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone (CID 59327036) is 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone is O=C(c1ccc(Oc2ncccc2C2=CCCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone?
The InChIKey is QGBNZOHHUBAGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c28-22(23-26-20-9-3-4-10-21(20)27-23)17-11-13-18(14-12-17)29-24-19(8-5-15-25-24)16-6-1-2-7-16/h3-6,8-15H,1-2,7H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone?
1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone has a molecular weight of 381.44 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[[3-(cyclopenten-1-yl)-2-pyridinyl]oxy]phenyl]methanone is sourced from PubChem (CID 59327036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).