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

C20H17N5OS — CID 58547114

IUPAC1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCc1csc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H17N5OS/c1-12-8-16(27-11-12)18-17(21-6-7-22-18)13-9-25(10-13)20(26)19-23-14-4-2-3-5-15(14)24-19/h2-8,11,13H,9-10H2,1H3,(H,23,24)
InChIKeySVUHTLVHOVGAQX-UHFFFAOYSA-N
MW375.46 g/mol
LogP3.63
Rot. Bonds3

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

1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547114) has the molecular formula C20H17N5OS and a molecular weight of 375.46 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547114
Molecular FormulaC20H17N5OS
Molecular Weight375.46 g/mol
Exact Mass375.12
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCc1csc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C20H17N5OS/c1-12-8-16(27-11-12)18-17(21-6-7-22-18)13-9-25(10-13)20(26)19-23-14-4-2-3-5-15(14)24-19/h2-8,11,13H,9-10H2,1H3,(H,23,24)
InChIKeySVUHTLVHOVGAQX-UHFFFAOYSA-N
XLogP3.63
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547114) is 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone is Cc1csc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is SVUHTLVHOVGAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS/c1-12-8-16(27-11-12)18-17(21-6-7-22-18)13-9-25(10-13)20(26)19-23-14-4-2-3-5-15(14)24-19/h2-8,11,13H,9-10H2,1H3,(H,23,24).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 375.46 g/mol, XLogP of 3.63, 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-(4-methylthiophen-2-yl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).