6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine

C18H19N3O — CID 118083730

IUPAC6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCCN1C=CN(c2c(C)ccc3c2oc2cccnc23)[C@H]1C
InChIInChI=1S/C18H19N3O/c1-4-20-10-11-21(13(20)3)17-12(2)7-8-14-16-15(22-18(14)17)6-5-9-19-16/h5-11,13H,4H2,1-3H3/t13-/m0/s1
InChIKeyOPCRKNTWBCLROG-ZDUSSCGKSA-N
MW293.37 g/mol
LogP4.25
Rot. Bonds2

About 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine

6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine (PubChem CID 118083730) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
PubChem CID118083730
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine
SMILESCCN1C=CN(c2c(C)ccc3c2oc2cccnc23)[C@H]1C
InChIInChI=1S/C18H19N3O/c1-4-20-10-11-21(13(20)3)17-12(2)7-8-14-16-15(22-18(14)17)6-5-9-19-16/h5-11,13H,4H2,1-3H3/t13-/m0/s1
InChIKeyOPCRKNTWBCLROG-ZDUSSCGKSA-N
XLogP4.25
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine (CID 118083730) is 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine is CCN1C=CN(c2c(C)ccc3c2oc2cccnc23)[C@H]1C.
What is the InChIKey of 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
The InChIKey is OPCRKNTWBCLROG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-20-10-11-21(13(20)3)17-12(2)7-8-14-16-15(22-18(14)17)6-5-9-19-16/h5-11,13H,4H2,1-3H3/t13-/m0/s1.
What are the key properties of 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine?
6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine has a molecular weight of 293.37 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-3-ethyl-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 118083730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).