2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole

C19H25N3O — CID 56868300

IUPAC2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole
SMILESCOc1cc2c(cc1-c1nccn1CCN1CCCC1)CCC2
InChIInChI=1S/C19H25N3O/c1-23-18-14-16-6-4-5-15(16)13-17(18)19-20-7-10-22(19)12-11-21-8-2-3-9-21/h7,10,13-14H,2-6,8-9,11-12H2,1H3
InChIKeyJQWABOXFGCEEQB-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.14
Rot. Bonds5

About 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole

2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole (PubChem CID 56868300) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole.

Molecular Properties

Compound Name2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole
PubChem CID56868300
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole
SMILESCOc1cc2c(cc1-c1nccn1CCN1CCCC1)CCC2
InChIInChI=1S/C19H25N3O/c1-23-18-14-16-6-4-5-15(16)13-17(18)19-20-7-10-22(19)12-11-21-8-2-3-9-21/h7,10,13-14H,2-6,8-9,11-12H2,1H3
InChIKeyJQWABOXFGCEEQB-UHFFFAOYSA-N
XLogP3.14
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
The IUPAC name of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole (CID 56868300) is 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole.
What is the SMILES notation for 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
The canonical SMILES for 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole is COc1cc2c(cc1-c1nccn1CCN1CCCC1)CCC2.
What is the InChIKey of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
The InChIKey is JQWABOXFGCEEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-23-18-14-16-6-4-5-15(16)13-17(18)19-20-7-10-22(19)12-11-21-8-2-3-9-21/h7,10,13-14H,2-6,8-9,11-12H2,1H3.
What are the key properties of 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole?
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole has a molecular weight of 311.43 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-(2-pyrrolidin-1-ylethyl)imidazole is sourced from PubChem (CID 56868300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).