1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole

C14H19N3 — CID 76850743

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole
SMILESCc1ccc(C)c2c1CCN2CC1=NCCN1
InChIInChI=1S/C14H19N3/c1-10-3-4-11(2)14-12(10)5-8-17(14)9-13-15-6-7-16-13/h3-4H,5-9H2,1-2H3,(H,15,16)
InChIKeyPENKYOUECKIFHJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.67
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole

1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole (PubChem CID 76850743) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole
PubChem CID76850743
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole
SMILESCc1ccc(C)c2c1CCN2CC1=NCCN1
InChIInChI=1S/C14H19N3/c1-10-3-4-11(2)14-12(10)5-8-17(14)9-13-15-6-7-16-13/h3-4H,5-9H2,1-2H3,(H,15,16)
InChIKeyPENKYOUECKIFHJ-UHFFFAOYSA-N
XLogP1.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole (CID 76850743) is 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole is Cc1ccc(C)c2c1CCN2CC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole?
The InChIKey is PENKYOUECKIFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-3-4-11(2)14-12(10)5-8-17(14)9-13-15-6-7-16-13/h3-4H,5-9H2,1-2H3,(H,15,16).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole?
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole has a molecular weight of 229.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4,7-dimethyl-2,3-dihydroindole is sourced from PubChem (CID 76850743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).