1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

C17H23N3O — CID 64858590

IUPAC1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCC(C)Cn1c(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H23N3O/c1-13(12-21-2)11-20-16-8-9-18-10-15(16)19-17(20)14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3
InChIKeyMRJMHXIQAOBHOD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.48
Rot. Bonds5

About 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine

1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 64858590) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID64858590
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCOCC(C)Cn1c(-c2ccccc2)nc2c1CCNC2
InChIInChI=1S/C17H23N3O/c1-13(12-21-2)11-20-16-8-9-18-10-15(16)19-17(20)14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3
InChIKeyMRJMHXIQAOBHOD-UHFFFAOYSA-N
XLogP2.48
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 64858590) is 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is COCC(C)Cn1c(-c2ccccc2)nc2c1CCNC2.
What is the InChIKey of 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is MRJMHXIQAOBHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(12-21-2)11-20-16-8-9-18-10-15(16)19-17(20)14-6-4-3-5-7-14/h3-7,13,18H,8-12H2,1-2H3.
What are the key properties of 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine?
1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 285.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methylpropyl)-2-phenyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 64858590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).