1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone

C23H21N5O3 — CID 58547195

IUPAC1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cc1OC
InChIInChI=1S/C23H21N5O3/c1-30-18-8-7-14(11-19(18)31-2)20-21(25-10-9-24-20)15-12-28(13-15)23(29)22-26-16-5-3-4-6-17(16)27-22/h3-11,15H,12-13H2,1-2H3,(H,26,27)
InChIKeyWLKXMKWDIVUDJQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.28
Rot. Bonds5

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

1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547195) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547195
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCOc1ccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cc1OC
InChIInChI=1S/C23H21N5O3/c1-30-18-8-7-14(11-19(18)31-2)20-21(25-10-9-24-20)15-12-28(13-15)23(29)22-26-16-5-3-4-6-17(16)27-22/h3-11,15H,12-13H2,1-2H3,(H,26,27)
InChIKeyWLKXMKWDIVUDJQ-UHFFFAOYSA-N
XLogP3.28
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547195) is 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone is COc1ccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)cc1OC.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is WLKXMKWDIVUDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-18-8-7-14(11-19(18)31-2)20-21(25-10-9-24-20)15-12-28(13-15)23(29)22-26-16-5-3-4-6-17(16)27-22/h3-11,15H,12-13H2,1-2H3,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 415.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[3-[3-(3,4-dimethoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).