1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone

C21H17N5O2 — CID 58546934

IUPAC1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C21H17N5O2/c27-21(19-24-16-8-4-5-9-17(16)25-19)26-12-14(13-26)18-20(23-11-10-22-18)28-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,24,25)
InChIKeyYSUKVDCQEFVDLG-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.38
Rot. Bonds4

About 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone (PubChem CID 58546934) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone
PubChem CID58546934
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2Oc2ccccc2)C1
InChIInChI=1S/C21H17N5O2/c27-21(19-24-16-8-4-5-9-17(16)25-19)26-12-14(13-26)18-20(23-11-10-22-18)28-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,24,25)
InChIKeyYSUKVDCQEFVDLG-UHFFFAOYSA-N
XLogP3.38
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.38
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-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone (CID 58546934) is 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2Oc2ccccc2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone?
The InChIKey is YSUKVDCQEFVDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-21(19-24-16-8-4-5-9-17(16)25-19)26-12-14(13-26)18-20(23-11-10-22-18)28-15-6-2-1-3-7-15/h1-11,14H,12-13H2,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone has a molecular weight of 371.40 g/mol, XLogP of 3.38, 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-phenoxypyrazin-2-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 58546934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).