2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol

C14H19N3O — CID 141125833

IUPAC2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)16-13(9-18)14-15-8-12(17-14)11-6-4-3-5-7-11/h3-8,10,13,16,18H,9H2,1-2H3,(H,15,17)
InChIKeyFSKNGORTPTWUSX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.11
Rot. Bonds5

About 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol

2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol (PubChem CID 141125833) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol
PubChem CID141125833
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NC(CO)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H19N3O/c1-10(2)16-13(9-18)14-15-8-12(17-14)11-6-4-3-5-7-11/h3-8,10,13,16,18H,9H2,1-2H3,(H,15,17)
InChIKeyFSKNGORTPTWUSX-UHFFFAOYSA-N
XLogP2.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol (CID 141125833) is 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol is CC(C)NC(CO)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol?
The InChIKey is FSKNGORTPTWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16-13(9-18)14-15-8-12(17-14)11-6-4-3-5-7-11/h3-8,10,13,16,18H,9H2,1-2H3,(H,15,17).
What are the key properties of 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol?
2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1H-imidazol-2-yl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 141125833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).