1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone

C22H18FN5O — CID 54675387

IUPAC1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCc1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccc1F
InChIInChI=1S/C22H18FN5O/c1-13-10-14(6-7-16(13)23)19-20(25-9-8-24-19)15-11-28(12-15)22(29)21-26-17-4-2-3-5-18(17)27-21/h2-10,15H,11-12H2,1H3,(H,26,27)
InChIKeyOLDYBVGPRCUQHR-UHFFFAOYSA-N
MW387.42 g/mol
LogP3.71
Rot. Bonds3

About 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone

1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 54675387) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID54675387
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCc1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccc1F
InChIInChI=1S/C22H18FN5O/c1-13-10-14(6-7-16(13)23)19-20(25-9-8-24-19)15-11-28(12-15)22(29)21-26-17-4-2-3-5-18(17)27-21/h2-10,15H,11-12H2,1H3,(H,26,27)
InChIKeyOLDYBVGPRCUQHR-UHFFFAOYSA-N
XLogP3.71
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.71
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-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 54675387) is 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone is Cc1cc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)ccc1F.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is OLDYBVGPRCUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-13-10-14(6-7-16(13)23)19-20(25-9-8-24-19)15-11-28(12-15)22(29)21-26-17-4-2-3-5-18(17)27-21/h2-10,15H,11-12H2,1H3,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 387.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 54675387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).