[4-(2-aminoethyl)imidazol-1-yl]methanol

C6H11N3O — CID 175329760

IUPAC[4-(2-aminoethyl)imidazol-1-yl]methanol
SMILESNCCc1cn(CO)cn1
InChIInChI=1S/C6H11N3O/c7-2-1-6-3-9(5-10)4-8-6/h3-4,10H,1-2,5,7H2
InChIKeySHNYSQFXORYKMP-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.67
Rot. Bonds3

About [4-(2-aminoethyl)imidazol-1-yl]methanol

[4-(2-aminoethyl)imidazol-1-yl]methanol (PubChem CID 175329760) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is [4-(2-aminoethyl)imidazol-1-yl]methanol.

Molecular Properties

Compound Name[4-(2-aminoethyl)imidazol-1-yl]methanol
PubChem CID175329760
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name[4-(2-aminoethyl)imidazol-1-yl]methanol
SMILESNCCc1cn(CO)cn1
InChIInChI=1S/C6H11N3O/c7-2-1-6-3-9(5-10)4-8-6/h3-4,10H,1-2,5,7H2
InChIKeySHNYSQFXORYKMP-UHFFFAOYSA-N
XLogP-0.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]methanol?
The IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]methanol (CID 175329760) is [4-(2-aminoethyl)imidazol-1-yl]methanol.
What is the SMILES notation for [4-(2-aminoethyl)imidazol-1-yl]methanol?
The canonical SMILES for [4-(2-aminoethyl)imidazol-1-yl]methanol is NCCc1cn(CO)cn1.
What is the InChIKey of [4-(2-aminoethyl)imidazol-1-yl]methanol?
The InChIKey is SHNYSQFXORYKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-2-1-6-3-9(5-10)4-8-6/h3-4,10H,1-2,5,7H2.
What are the key properties of [4-(2-aminoethyl)imidazol-1-yl]methanol?
[4-(2-aminoethyl)imidazol-1-yl]methanol has a molecular weight of 141.17 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)imidazol-1-yl]methanol is sourced from PubChem (CID 175329760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).