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

C22H19N5O2 — CID 58547066

IUPAC1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCOc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H19N5O2/c1-29-16-6-4-5-14(11-16)19-20(24-10-9-23-19)15-12-27(13-15)22(28)21-25-17-7-2-3-8-18(17)26-21/h2-11,15H,12-13H2,1H3,(H,25,26)
InChIKeyGHPSROQRQLDECX-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.27
Rot. Bonds4

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

1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone (PubChem CID 58547066) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
PubChem CID58547066
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone
SMILESCOc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H19N5O2/c1-29-16-6-4-5-14(11-16)19-20(24-10-9-23-19)15-12-27(13-15)22(28)21-25-17-7-2-3-8-18(17)26-21/h2-11,15H,12-13H2,1H3,(H,25,26)
InChIKeyGHPSROQRQLDECX-UHFFFAOYSA-N
XLogP3.27
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.27
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-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone (CID 58547066) is 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone is COc1cccc(-c2nccnc2C2CN(C(=O)c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
The InChIKey is GHPSROQRQLDECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-16-6-4-5-14(11-16)19-20(24-10-9-23-19)15-12-27(13-15)22(28)21-25-17-7-2-3-8-18(17)26-21/h2-11,15H,12-13H2,1H3,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone?
1H-benzimidazol-2-yl-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone has a molecular weight of 385.43 g/mol, XLogP of 3.27, 4 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-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 58547066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).