4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one

C21H21N5O3 — CID 54670019

IUPAC4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one
SMILESO=C1CCC(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C21H21N5O3/c27-14-7-5-13(6-8-14)18-20(23-10-9-22-18)29-15-11-26(12-15)21(28)19-24-16-3-1-2-4-17(16)25-19/h1-4,9-10,13,15H,5-8,11-12H2,(H,24,25)
InChIKeyBXPWQNKYGFFFLF-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.48
Rot. Bonds4

About 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one

4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one (PubChem CID 54670019) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one
PubChem CID54670019
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one
SMILESO=C1CCC(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1
InChIInChI=1S/C21H21N5O3/c27-14-7-5-13(6-8-14)18-20(23-10-9-22-18)29-15-11-26(12-15)21(28)19-24-16-3-1-2-4-17(16)25-19/h1-4,9-10,13,15H,5-8,11-12H2,(H,24,25)
InChIKeyBXPWQNKYGFFFLF-UHFFFAOYSA-N
XLogP2.48
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one with MolForge

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Related Compounds

1H-benzimidazol-2-yl-[3-[[3-(3,6-dihydro-2H-pyran-4-yl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 58547884
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperazin-1-yl]ethanone
CID 54669924
1H-benzimidazol-2-yl-[3-[3-(2-methyl-4-pyridinyl)pyrazin-2-yl]oxyazetidin-1-yl]methanone
CID 54669925
1H-benzimidazol-2-yl-[3-(3-pyridin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
CID 54669927
1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]piperidin-1-yl]ethanone
CID 54670017
1-[4-[2-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxy-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 54670107
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 54671241
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54671242
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 54671243
1-[4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]piperidin-1-yl]ethanone
CID 54671332
tert-butyl 3-(3-(1-(1H-benzo[d]imidazole-2-carbonyl)azetidin-3-yloxy)pyrazin-2-yl)-5,6-dihydropyridine-1(2H)-carboxylate
CID 54671336
1H-benzimidazol-2-yl-[3-(3-phenoxypyrazin-2-yl)azetidin-1-yl]methanone
CID 58546934

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one?
The IUPAC name of 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one (CID 54670019) is 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one?
The canonical SMILES for 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one is O=C1CCC(c2nccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)CC1.
What is the InChIKey of 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one?
The InChIKey is BXPWQNKYGFFFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c27-14-7-5-13(6-8-14)18-20(23-10-9-22-18)29-15-11-26(12-15)21(28)19-24-16-3-1-2-4-17(16)25-19/h1-4,9-10,13,15H,5-8,11-12H2,(H,24,25).
What are the key properties of 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one?
4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one has a molecular weight of 391.43 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]oxypyrazin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 54670019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).