(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole

C22H30FN3 — CID 118262159

IUPAC(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
SMILESCc1cc(F)n(-c2c(C(C)C)cccc2C(C)C)c1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C22H30FN3/c1-14(2)18-9-8-10-19(15(3)4)21(18)26-20(23)13-16(5)22(26)25-12-11-24(7)17(25)6/h8-15,17H,1-7H3/t17-/m0/s1
InChIKeyDVBZEAGIIWPSJF-KRWDZBQOSA-N
MW355.50 g/mol
LogP5.74
Rot. Bonds4

About (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole

(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole (PubChem CID 118262159) has the molecular formula C22H30FN3 and a molecular weight of 355.50 g/mol. Its IUPAC name is (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
PubChem CID118262159
Molecular FormulaC22H30FN3
Molecular Weight355.50 g/mol
Exact Mass355.24
IUPAC Name(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole
SMILESCc1cc(F)n(-c2c(C(C)C)cccc2C(C)C)c1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C22H30FN3/c1-14(2)18-9-8-10-19(15(3)4)21(18)26-20(23)13-16(5)22(26)25-12-11-24(7)17(25)6/h8-15,17H,1-7H3/t17-/m0/s1
InChIKeyDVBZEAGIIWPSJF-KRWDZBQOSA-N
XLogP5.74
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
The IUPAC name of (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole (CID 118262159) is (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
The canonical SMILES for (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole is Cc1cc(F)n(-c2c(C(C)C)cccc2C(C)C)c1N1C=CN(C)[C@@H]1C.
What is the InChIKey of (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
The InChIKey is DVBZEAGIIWPSJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30FN3/c1-14(2)18-9-8-10-19(15(3)4)21(18)26-20(23)13-16(5)22(26)25-12-11-24(7)17(25)6/h8-15,17H,1-7H3/t17-/m0/s1.
What are the key properties of (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole?
(2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole has a molecular weight of 355.50 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[2,6-di(propan-2-yl)phenyl]-5-fluoro-3-methylpyrrol-2-yl]-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 118262159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).