(2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole

C18H17FN2O — CID 153464527

IUPAC(2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole
SMILESCc1cc2oc3cc(F)ccc3c2cc1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C18H17FN2O/c1-11-8-17-15(14-5-4-13(19)9-18(14)22-17)10-16(11)21-7-6-20(3)12(21)2/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyMGXHZHLKCPAVHW-LBPRGKRZSA-N
MW296.34 g/mol
LogP4.60
Rot. Bonds1

About (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole

(2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole (PubChem CID 153464527) has the molecular formula C18H17FN2O and a molecular weight of 296.34 g/mol. Its IUPAC name is (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole
PubChem CID153464527
Molecular FormulaC18H17FN2O
Molecular Weight296.34 g/mol
Exact Mass296.13
IUPAC Name(2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole
SMILESCc1cc2oc3cc(F)ccc3c2cc1N1C=CN(C)[C@@H]1C
InChIInChI=1S/C18H17FN2O/c1-11-8-17-15(14-5-4-13(19)9-18(14)22-17)10-16(11)21-7-6-20(3)12(21)2/h4-10,12H,1-3H3/t12-/m0/s1
InChIKeyMGXHZHLKCPAVHW-LBPRGKRZSA-N
XLogP4.60
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole?
The IUPAC name of (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole (CID 153464527) is (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole.
What is the SMILES notation for (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole?
The canonical SMILES for (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole is Cc1cc2oc3cc(F)ccc3c2cc1N1C=CN(C)[C@@H]1C.
What is the InChIKey of (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole?
The InChIKey is MGXHZHLKCPAVHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-11-8-17-15(14-5-4-13(19)9-18(14)22-17)10-16(11)21-7-6-20(3)12(21)2/h4-10,12H,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole?
(2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole has a molecular weight of 296.34 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-fluoro-3-methyldibenzofuran-2-yl)-2,3-dimethyl-2H-imidazole is sourced from PubChem (CID 153464527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).