1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol

C17H23N3O — CID 61215281

IUPAC1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCc1nccn1C
InChIInChI=1S/C17H23N3O/c1-11-4-5-14(21)17-13(10-12(2)16(11)17)18-7-6-15-19-8-9-20(15)3/h4-5,8-9,12-13,18,21H,6-7,10H2,1-3H3
InChIKeyBFZYBDUFWKQHPJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.81
Rot. Bonds4

About 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol

1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 61215281) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID61215281
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NCCc1nccn1C
InChIInChI=1S/C17H23N3O/c1-11-4-5-14(21)17-13(10-12(2)16(11)17)18-7-6-15-19-8-9-20(15)3/h4-5,8-9,12-13,18,21H,6-7,10H2,1-3H3
InChIKeyBFZYBDUFWKQHPJ-UHFFFAOYSA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol (CID 61215281) is 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NCCc1nccn1C.
What is the InChIKey of 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is BFZYBDUFWKQHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11-4-5-14(21)17-13(10-12(2)16(11)17)18-7-6-15-19-8-9-20(15)3/h4-5,8-9,12-13,18,21H,6-7,10H2,1-3H3.
What are the key properties of 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol?
1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 285.39 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-3-[2-(1-methylimidazol-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 61215281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).