(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole

C19H20N2O — CID 170175055

IUPAC(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole
SMILESCCN1C=CN(c2cc3oc4ccccc4c3cc2C)[C@H]1C
InChIInChI=1S/C19H20N2O/c1-4-20-9-10-21(14(20)3)17-12-19-16(11-13(17)2)15-7-5-6-8-18(15)22-19/h5-12,14H,4H2,1-3H3/t14-/m0/s1
InChIKeyITJKWBYOZRFBII-AWEZNQCLSA-N
MW292.38 g/mol
LogP4.85
Rot. Bonds2

About (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole

(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole (PubChem CID 170175055) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole.

Molecular Properties

Compound Name(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole
PubChem CID170175055
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole
SMILESCCN1C=CN(c2cc3oc4ccccc4c3cc2C)[C@H]1C
InChIInChI=1S/C19H20N2O/c1-4-20-9-10-21(14(20)3)17-12-19-16(11-13(17)2)15-7-5-6-8-18(15)22-19/h5-12,14H,4H2,1-3H3/t14-/m0/s1
InChIKeyITJKWBYOZRFBII-AWEZNQCLSA-N
XLogP4.85
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole?
The IUPAC name of (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole (CID 170175055) is (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole.
What is the SMILES notation for (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole?
The canonical SMILES for (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole is CCN1C=CN(c2cc3oc4ccccc4c3cc2C)[C@H]1C.
What is the InChIKey of (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole?
The InChIKey is ITJKWBYOZRFBII-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20N2O/c1-4-20-9-10-21(14(20)3)17-12-19-16(11-13(17)2)15-7-5-6-8-18(15)22-19/h5-12,14H,4H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole?
(2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole has a molecular weight of 292.38 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-methyl-3-(2-methyldibenzofuran-3-yl)-2H-imidazole is sourced from PubChem (CID 170175055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).