2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole

C13H17N3O — CID 14064738

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole
SMILESCOc1cccc2c1CC(C1=NCCN1)N2C
InChIInChI=1S/C13H17N3O/c1-16-10-4-3-5-12(17-2)9(10)8-11(16)13-14-6-7-15-13/h3-5,11H,6-8H2,1-2H3,(H,14,15)
InChIKeyXPOFXRNCKMCYTD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.06
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole

2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole (PubChem CID 14064738) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole
PubChem CID14064738
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole
SMILESCOc1cccc2c1CC(C1=NCCN1)N2C
InChIInChI=1S/C13H17N3O/c1-16-10-4-3-5-12(17-2)9(10)8-11(16)13-14-6-7-15-13/h3-5,11H,6-8H2,1-2H3,(H,14,15)
InChIKeyXPOFXRNCKMCYTD-UHFFFAOYSA-N
XLogP1.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole (CID 14064738) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole is COc1cccc2c1CC(C1=NCCN1)N2C.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole?
The InChIKey is XPOFXRNCKMCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-16-10-4-3-5-12(17-2)9(10)8-11(16)13-14-6-7-15-13/h3-5,11H,6-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole has a molecular weight of 231.30 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methoxy-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 14064738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).