[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol

C17H23N3O — CID 79125450

IUPAC[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)20-11-19-9-15(20)16(21)17(10-18)8-7-13-5-3-4-6-14(13)17/h3-6,9,11-12,16,21H,7-8,10,18H2,1-2H3
InChIKeySQMGMLUIAQPDFD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.34
Rot. Bonds4

About [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol

[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol (PubChem CID 79125450) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
PubChem CID79125450
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol
SMILESCC(C)n1cncc1C(O)C1(CN)CCc2ccccc21
InChIInChI=1S/C17H23N3O/c1-12(2)20-11-19-9-15(20)16(21)17(10-18)8-7-13-5-3-4-6-14(13)17/h3-6,9,11-12,16,21H,7-8,10,18H2,1-2H3
InChIKeySQMGMLUIAQPDFD-UHFFFAOYSA-N
XLogP2.34
TPSA64.07 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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol?
The IUPAC name of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol (CID 79125450) is [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol is CC(C)n1cncc1C(O)C1(CN)CCc2ccccc21.
What is the InChIKey of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol?
The InChIKey is SQMGMLUIAQPDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)20-11-19-9-15(20)16(21)17(10-18)8-7-13-5-3-4-6-14(13)17/h3-6,9,11-12,16,21H,7-8,10,18H2,1-2H3.
What are the key properties of [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol?
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol has a molecular weight of 285.39 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3-propan-2-ylimidazol-4-yl)methanol is sourced from PubChem (CID 79125450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).