2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol

C15H19N3O — CID 114703134

IUPAC2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1-c1cccc2c1CCCC2
InChIInChI=1S/C15H19N3O/c16-13(9-19)15-8-17-10-18(15)14-7-3-5-11-4-1-2-6-12(11)14/h3,5,7-8,10,13,19H,1-2,4,6,9,16H2
InChIKeyGNRMANJGKWCLNT-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol

2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol (PubChem CID 114703134) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol
PubChem CID114703134
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1-c1cccc2c1CCCC2
InChIInChI=1S/C15H19N3O/c16-13(9-19)15-8-17-10-18(15)14-7-3-5-11-4-1-2-6-12(11)14/h3,5,7-8,10,13,19H,1-2,4,6,9,16H2
InChIKeyGNRMANJGKWCLNT-UHFFFAOYSA-N
XLogP1.74
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol (CID 114703134) is 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol is NC(CO)c1cncn1-c1cccc2c1CCCC2.
What is the InChIKey of 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol?
The InChIKey is GNRMANJGKWCLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-13(9-19)15-8-17-10-18(15)14-7-3-5-11-4-1-2-6-12(11)14/h3,5,7-8,10,13,19H,1-2,4,6,9,16H2.
What are the key properties of 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol?
2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol has a molecular weight of 257.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazol-4-yl]ethanol is sourced from PubChem (CID 114703134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).