4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline

C28H27N3O — CID 12043659

IUPAC4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline
SMILESCCC1(c2ccccc2)CN=C(c2c(OC)c(-c3ccccc3)nc3ccccc23)N1C
InChIInChI=1S/C28H27N3O/c1-4-28(21-15-9-6-10-16-21)19-29-27(31(28)2)24-22-17-11-12-18-23(22)30-25(26(24)32-3)20-13-7-5-8-14-20/h5-18H,4,19H2,1-3H3
InChIKeyRPLGNOXACBDVSL-UHFFFAOYSA-N
MW421.54 g/mol
LogP5.91
Rot. Bonds5

About 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline

4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline (PubChem CID 12043659) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline.

Molecular Properties

Compound Name4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline
PubChem CID12043659
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline
SMILESCCC1(c2ccccc2)CN=C(c2c(OC)c(-c3ccccc3)nc3ccccc23)N1C
InChIInChI=1S/C28H27N3O/c1-4-28(21-15-9-6-10-16-21)19-29-27(31(28)2)24-22-17-11-12-18-23(22)30-25(26(24)32-3)20-13-7-5-8-14-20/h5-18H,4,19H2,1-3H3
InChIKeyRPLGNOXACBDVSL-UHFFFAOYSA-N
XLogP5.91
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline?
The IUPAC name of 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline (CID 12043659) is 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline.
What is the SMILES notation for 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline?
The canonical SMILES for 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline is CCC1(c2ccccc2)CN=C(c2c(OC)c(-c3ccccc3)nc3ccccc23)N1C.
What is the InChIKey of 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline?
The InChIKey is RPLGNOXACBDVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O/c1-4-28(21-15-9-6-10-16-21)19-29-27(31(28)2)24-22-17-11-12-18-23(22)30-25(26(24)32-3)20-13-7-5-8-14-20/h5-18H,4,19H2,1-3H3.
What are the key properties of 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline?
4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline has a molecular weight of 421.54 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1-methyl-5-phenyl-4H-imidazol-2-yl)-3-methoxy-2-phenylquinoline is sourced from PubChem (CID 12043659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).