1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole

C22H31N3 — CID 134386784

IUPAC1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole
SMILESCc1cc(C)n(-c2c(C(C)C)cccc2C(C)C)c1N1C=CN(C)C1
InChIInChI=1S/C22H31N3/c1-15(2)19-9-8-10-20(16(3)4)21(19)25-18(6)13-17(5)22(25)24-12-11-23(7)14-24/h8-13,15-16H,14H2,1-7H3
InChIKeyCNRYKIWRFNYRLI-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.52
Rot. Bonds4

About 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole

1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole (PubChem CID 134386784) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole.

Molecular Properties

Compound Name1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole
PubChem CID134386784
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole
SMILESCc1cc(C)n(-c2c(C(C)C)cccc2C(C)C)c1N1C=CN(C)C1
InChIInChI=1S/C22H31N3/c1-15(2)19-9-8-10-20(16(3)4)21(19)25-18(6)13-17(5)22(25)24-12-11-23(7)14-24/h8-13,15-16H,14H2,1-7H3
InChIKeyCNRYKIWRFNYRLI-UHFFFAOYSA-N
XLogP5.52
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole?
The IUPAC name of 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole (CID 134386784) is 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole.
What is the SMILES notation for 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole?
The canonical SMILES for 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole is Cc1cc(C)n(-c2c(C(C)C)cccc2C(C)C)c1N1C=CN(C)C1.
What is the InChIKey of 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole?
The InChIKey is CNRYKIWRFNYRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-15(2)19-9-8-10-20(16(3)4)21(19)25-18(6)13-17(5)22(25)24-12-11-23(7)14-24/h8-13,15-16H,14H2,1-7H3.
What are the key properties of 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole?
1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole has a molecular weight of 337.51 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,6-di(propan-2-yl)phenyl]-3,5-dimethylpyrrol-2-yl]-3-methyl-2H-imidazole is sourced from PubChem (CID 134386784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).