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

C12H15N3 — CID 10219857

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
SMILESCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
InChIKeyIDOHPYFJXXCMEX-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.05
Rot. Bonds1

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

2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole (PubChem CID 10219857) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
PubChem CID10219857
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole
SMILESCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14)
InChIKeyIDOHPYFJXXCMEX-UHFFFAOYSA-N
XLogP1.05
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole (CID 10219857) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole is CN1c2ccccc2CC1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole?
The InChIKey is IDOHPYFJXXCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-15-10-5-3-2-4-9(10)8-11(15)12-13-6-7-14-12/h2-5,11H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole has a molecular weight of 201.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 10219857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).