1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone

C21H18N6O — CID 58547101

IUPAC1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H18N6O/c1-13-8-14(10-22-9-13)18-19(24-7-6-23-18)15-11-27(12-15)21(28)20-25-16-4-2-3-5-17(16)26-20/h2-10,15H,11-12H2,1H3,(H,25,26)
InChIKeyORTRUDBSDGMIIF-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.96
Rot. Bonds3

About 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547101) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547101
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C21H18N6O/c1-13-8-14(10-22-9-13)18-19(24-7-6-23-18)15-11-27(12-15)21(28)20-25-16-4-2-3-5-17(16)26-20/h2-10,15H,11-12H2,1H3,(H,25,26)
InChIKeyORTRUDBSDGMIIF-UHFFFAOYSA-N
XLogP2.96
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-benzimidazol-2-yl-[3-[3-[(3R)-3-hydroxypyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]methanone
CID 58546995
1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547127
1H-benzimidazol-2-yl-[3-[3-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547040
3-[3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]pyrazin-2-yl]benzonitrile;(1-methylbenzimidazol-2-yl)-[3-(3-piperidin-1-ylpyrazin-2-yl)azetidin-1-yl]methanone
CID 67469262
1H-benzimidazol-2-yl-[3-(3-piperidin-3-ylpyrazin-2-yl)oxyazetidin-1-yl]methanone
CID 58547935
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
1H-benzimidazol-2-yl-[(1S,5R)-6-[(dimethylamino)methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 56909563
bis[3-(3-phenylpyrazin-2-yl)azetidin-1-yl]methanone
CID 174701609
1H-benzimidazol-2-yl-[3-(3-chloropyrazin-2-yl)azetidin-1-yl]methanone;bis([3-(3-chloropyrazin-2-yl)azetidin-1-yl]-[1-(2,2,2-trifluoroethyl)benzimidazol-2-yl]methanone);1,1,1-trifluoro-2-iodoethane
CID 159357303
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 86694189
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547101) is 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone is Cc1cncc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is ORTRUDBSDGMIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-13-8-14(10-22-9-13)18-19(24-7-6-23-18)15-11-27(12-15)21(28)20-25-16-4-2-3-5-17(16)26-20/h2-10,15H,11-12H2,1H3,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 370.42 g/mol, XLogP of 2.96, 3 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-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).