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

C21H24N6O — CID 58547127

IUPAC1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCC1CCCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1
InChIInChI=1S/C21H24N6O/c1-14-5-4-10-26(11-14)20-18(22-8-9-23-20)15-12-27(13-15)21(28)19-24-16-6-2-3-7-17(16)25-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3,(H,24,25)
InChIKeyHSCDAWNZAILNKB-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.83
Rot. Bonds3

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

1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547127) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547127
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCC1CCCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1
InChIInChI=1S/C21H24N6O/c1-14-5-4-10-26(11-14)20-18(22-8-9-23-20)15-12-27(13-15)21(28)19-24-16-6-2-3-7-17(16)25-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3,(H,24,25)
InChIKeyHSCDAWNZAILNKB-UHFFFAOYSA-N
XLogP2.83
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.83
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-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547040
1H-benzimidazol-2-yl-[3-[3-(5-methyl-3-pyridinyl)pyrazin-2-yl]azetidin-1-yl]methanone
CID 58547101
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
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
1H-benzimidazol-2-yl(piperidin-1-yl)methanone
CID 12620216
2-[3-[3-[(3R)-3-methylpyrrolidin-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
CID 58547331
1H-benzimidazol-2-yl-[(3R)-3-phenoxypiperidin-1-yl]methanone
CID 167892131
3-[1-(1H-benzimidazole-2-carbonyl)azetidin-3-yl]-1H-imidazo[4,5-b]pyridin-2-one
CID 86694189
1H-benzimidazol-2-yl-[4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 58547341

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547127) is 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone is CC1CCCN(c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is HSCDAWNZAILNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14-5-4-10-26(11-14)20-18(22-8-9-23-20)15-12-27(13-15)21(28)19-24-16-6-2-3-7-17(16)25-19/h2-3,6-9,14-15H,4-5,10-13H2,1H3,(H,24,25).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.83, 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-(3-methylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).