(1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole

C13H17N3 — CID 6604824

IUPAC(1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole
SMILESC[C@@H]1c2ccccc2CN1CC1=NCCN1
InChIInChI=1S/C13H17N3/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13/h2-5,10H,6-9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeySGOFAUSEYBZKDQ-SNVBAGLBSA-N
MW215.30 g/mol
LogP1.56
Rot. Bonds2

About (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole

(1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole (PubChem CID 6604824) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name(1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole
PubChem CID6604824
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole
SMILESC[C@@H]1c2ccccc2CN1CC1=NCCN1
InChIInChI=1S/C13H17N3/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13/h2-5,10H,6-9H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeySGOFAUSEYBZKDQ-SNVBAGLBSA-N
XLogP1.56
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole?
The IUPAC name of (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole (CID 6604824) is (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole.
What is the SMILES notation for (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole?
The canonical SMILES for (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole is C[C@@H]1c2ccccc2CN1CC1=NCCN1.
What is the InChIKey of (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole?
The InChIKey is SGOFAUSEYBZKDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-12-5-3-2-4-11(12)8-16(10)9-13-14-6-7-15-13/h2-5,10H,6-9H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole?
(1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole has a molecular weight of 215.30 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 6604824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).