1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone

C22H20N2O2 — CID 130300540

IUPAC1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
SMILESCOc1ccccc1C(=O)CC1C(c2ccccc2)=C(C)c2cncn21
InChIInChI=1S/C22H20N2O2/c1-15-19-13-23-14-24(19)18(22(15)16-8-4-3-5-9-16)12-20(25)17-10-6-7-11-21(17)26-2/h3-11,13-14,18H,12H2,1-2H3
InChIKeyXWEHJDNPMUAUGW-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.65
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone

1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone (PubChem CID 130300540) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
PubChem CID130300540
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
SMILESCOc1ccccc1C(=O)CC1C(c2ccccc2)=C(C)c2cncn21
InChIInChI=1S/C22H20N2O2/c1-15-19-13-23-14-24(19)18(22(15)16-8-4-3-5-9-16)12-20(25)17-10-6-7-11-21(17)26-2/h3-11,13-14,18H,12H2,1-2H3
InChIKeyXWEHJDNPMUAUGW-UHFFFAOYSA-N
XLogP4.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone (CID 130300540) is 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone is COc1ccccc1C(=O)CC1C(c2ccccc2)=C(C)c2cncn21.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
The InChIKey is XWEHJDNPMUAUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-15-19-13-23-14-24(19)18(22(15)16-8-4-3-5-9-16)12-20(25)17-10-6-7-11-21(17)26-2/h3-11,13-14,18H,12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone?
1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone has a molecular weight of 344.41 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone is sourced from PubChem (CID 130300540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).