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

C5H9N3O — CID 45120620

IUPAC[2-(aminomethyl)-1H-imidazol-5-yl]methanol
SMILESNCc1ncc(CO)[nH]1
InChIInChI=1S/C5H9N3O/c6-1-5-7-2-4(3-9)8-5/h2,9H,1,3,6H2,(H,7,8)
InChIKeyXNLSFFYWKOVUTE-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.64
Rot. Bonds2

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

[2-(aminomethyl)-1H-imidazol-5-yl]methanol (PubChem CID 45120620) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is [2-(aminomethyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-1H-imidazol-5-yl]methanol
PubChem CID45120620
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name[2-(aminomethyl)-1H-imidazol-5-yl]methanol
SMILESNCc1ncc(CO)[nH]1
InChIInChI=1S/C5H9N3O/c6-1-5-7-2-4(3-9)8-5/h2,9H,1,3,6H2,(H,7,8)
InChIKeyXNLSFFYWKOVUTE-UHFFFAOYSA-N
XLogP-0.64
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Imidazolemethanol
CID 1745
Imidazol-4-ylmethanol hydrochloride
CID 122926
2-Butyl-5-hydroxymethylimidazole
CID 2735673
(1-methyl-1H-imidazol-5-yl)methanol
CID 2773450
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
(1-(propan-2-yl)-1H-imidazol-5-yl)methanol
CID 20568531
[2-(dimethylamino)-1-methyl-1H-imidazol-5-yl]methanol
CID 64012368
(4-Fluoro-1H-imidazol-5-yl)methanol
CID 567446
(1,2-dimethyl-1H-imidazol-5-yl)methanol
CID 304328
(1-methyl-1H-imidazol-4-yl)methanol
CID 7060524
[4-(propan-2-yl)-1H-imidazol-2-yl]methanol
CID 9877392
1-(1H-imidazol-4-yl)ethan-1-ol hydrochloride
CID 12344798

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(aminomethyl)-1H-imidazol-5-yl]methanol (CID 45120620) is [2-(aminomethyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(aminomethyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(aminomethyl)-1H-imidazol-5-yl]methanol is NCc1ncc(CO)[nH]1.
What is the InChIKey of [2-(aminomethyl)-1H-imidazol-5-yl]methanol?
The InChIKey is XNLSFFYWKOVUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-1-5-7-2-4(3-9)8-5/h2,9H,1,3,6H2,(H,7,8).
What are the key properties of [2-(aminomethyl)-1H-imidazol-5-yl]methanol?
[2-(aminomethyl)-1H-imidazol-5-yl]methanol has a molecular weight of 127.15 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 45120620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).