(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

C18H19N3O2 — CID 95136988

IUPAC(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCOc1ccc(-c2ccc([C@@H]3NCCc4[nH]cnc43)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-22-13-5-3-12(4-6-13)15-7-8-16(23-15)18-17-14(9-10-19-18)20-11-21-17/h3-8,11,18-19H,2,9-10H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyLFEBDTZBYPAJLC-SFHVURJKSA-N
MW309.37 g/mol
LogP3.30
Rot. Bonds4

About (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (PubChem CID 95136988) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
PubChem CID95136988
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
SMILESCCOc1ccc(-c2ccc([C@@H]3NCCc4[nH]cnc43)o2)cc1
InChIInChI=1S/C18H19N3O2/c1-2-22-13-5-3-12(4-6-13)15-7-8-16(23-15)18-17-14(9-10-19-18)20-11-21-17/h3-8,11,18-19H,2,9-10H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeyLFEBDTZBYPAJLC-SFHVURJKSA-N
XLogP3.30
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The IUPAC name of (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CID 95136988) is (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is CCOc1ccc(-c2ccc([C@@H]3NCCc4[nH]cnc43)o2)cc1.
What is the InChIKey of (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
The InChIKey is LFEBDTZBYPAJLC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-22-13-5-3-12(4-6-13)15-7-8-16(23-15)18-17-14(9-10-19-18)20-11-21-17/h3-8,11,18-19H,2,9-10H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine?
(4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine has a molecular weight of 309.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(4-ethoxyphenyl)furan-2-yl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 95136988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).