[2-(2-aminoethyl)-1H-imidazol-5-yl]methanol

C6H11N3O — CID 12948719

IUPAC[2-(2-aminoethyl)-1H-imidazol-5-yl]methanol
SMILESNCCc1ncc(CO)[nH]1
InChIInChI=1S/C6H11N3O/c7-2-1-6-8-3-5(4-10)9-6/h3,10H,1-2,4,7H2,(H,8,9)
InChIKeyKAANDAAPUONEKI-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.60
Rot. Bonds3

About [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol

[2-(2-aminoethyl)-1H-imidazol-5-yl]methanol (PubChem CID 12948719) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-aminoethyl)-1H-imidazol-5-yl]methanol
PubChem CID12948719
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name[2-(2-aminoethyl)-1H-imidazol-5-yl]methanol
SMILESNCCc1ncc(CO)[nH]1
InChIInChI=1S/C6H11N3O/c7-2-1-6-8-3-5(4-10)9-6/h3,10H,1-2,4,7H2,(H,8,9)
InChIKeyKAANDAAPUONEKI-UHFFFAOYSA-N
XLogP-0.60
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol (CID 12948719) is [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol is NCCc1ncc(CO)[nH]1.
What is the InChIKey of [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is KAANDAAPUONEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-2-1-6-8-3-5(4-10)9-6/h3,10H,1-2,4,7H2,(H,8,9).
What are the key properties of [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol?
[2-(2-aminoethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of -0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 12948719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).