7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole

C25H22N2S — CID 130300326

IUPAC7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
SMILESCC1=C(c2ccccc2)C(CCc2ccc(-c3ccsc3)cc2)n2cncc21
InChIInChI=1S/C25H22N2S/c1-18-24-15-26-17-27(24)23(25(18)21-5-3-2-4-6-21)12-9-19-7-10-20(11-8-19)22-13-14-28-16-22/h2-8,10-11,13-17,23H,9,12H2,1H3
InChIKeyZFBWEHZVFITPID-UHFFFAOYSA-N
MW382.53 g/mol
LogP6.73
Rot. Bonds5

About 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole

7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole (PubChem CID 130300326) has the molecular formula C25H22N2S and a molecular weight of 382.53 g/mol. Its IUPAC name is 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
PubChem CID130300326
Molecular FormulaC25H22N2S
Molecular Weight382.53 g/mol
Exact Mass382.15
IUPAC Name7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole
SMILESCC1=C(c2ccccc2)C(CCc2ccc(-c3ccsc3)cc2)n2cncc21
InChIInChI=1S/C25H22N2S/c1-18-24-15-26-17-27(24)23(25(18)21-5-3-2-4-6-21)12-9-19-7-10-20(11-8-19)22-13-14-28-16-22/h2-8,10-11,13-17,23H,9,12H2,1H3
InChIKeyZFBWEHZVFITPID-UHFFFAOYSA-N
XLogP6.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.53
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole?
The IUPAC name of 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole (CID 130300326) is 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole is CC1=C(c2ccccc2)C(CCc2ccc(-c3ccsc3)cc2)n2cncc21.
What is the InChIKey of 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole?
The InChIKey is ZFBWEHZVFITPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2S/c1-18-24-15-26-17-27(24)23(25(18)21-5-3-2-4-6-21)12-9-19-7-10-20(11-8-19)22-13-14-28-16-22/h2-8,10-11,13-17,23H,9,12H2,1H3.
What are the key properties of 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole?
7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole has a molecular weight of 382.53 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-phenyl-5-[2-(4-thiophen-3-ylphenyl)ethyl]-5H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 130300326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).