2-(methylaminomethyl)-1H-imidazol-5-ol

C5H9N3O — CID 82467731

IUPAC2-(methylaminomethyl)-1H-imidazol-5-ol
SMILESCNCc1ncc(O)[nH]1
InChIInChI=1S/C5H9N3O/c1-6-2-4-7-3-5(9)8-4/h3,6,9H,2H2,1H3,(H,7,8)
InChIKeyKQXCUVXSTHNSRA-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.17
Rot. Bonds2

About 2-(methylaminomethyl)-1H-imidazol-5-ol

2-(methylaminomethyl)-1H-imidazol-5-ol (PubChem CID 82467731) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(methylaminomethyl)-1H-imidazol-5-ol.

Molecular Properties

Compound Name2-(methylaminomethyl)-1H-imidazol-5-ol
PubChem CID82467731
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(methylaminomethyl)-1H-imidazol-5-ol
SMILESCNCc1ncc(O)[nH]1
InChIInChI=1S/C5H9N3O/c1-6-2-4-7-3-5(9)8-4/h3,6,9H,2H2,1H3,(H,7,8)
InChIKeyKQXCUVXSTHNSRA-UHFFFAOYSA-N
XLogP-0.17
TPSA60.94 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 ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 53398821
2-(fluoromethyl)-1H-imidazol-5-ol
CID 84762079
N-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]methanamine
CID 43651395
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
N-methyl-1-(2-propyl-1H-imidazol-5-yl)methanamine
CID 63108982
1-[2-(fluoromethyl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 84762762
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
2-[5-(methylaminomethyl)-1H-imidazol-2-yl]acetamide
CID 63108748
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651418
2-[(4-aminophenoxy)methyl]-1H-imidazol-5-ol
CID 82470079

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-1H-imidazol-5-ol?
The IUPAC name of 2-(methylaminomethyl)-1H-imidazol-5-ol (CID 82467731) is 2-(methylaminomethyl)-1H-imidazol-5-ol.
What is the SMILES notation for 2-(methylaminomethyl)-1H-imidazol-5-ol?
The canonical SMILES for 2-(methylaminomethyl)-1H-imidazol-5-ol is CNCc1ncc(O)[nH]1.
What is the InChIKey of 2-(methylaminomethyl)-1H-imidazol-5-ol?
The InChIKey is KQXCUVXSTHNSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-6-2-4-7-3-5(9)8-4/h3,6,9H,2H2,1H3,(H,7,8).
What are the key properties of 2-(methylaminomethyl)-1H-imidazol-5-ol?
2-(methylaminomethyl)-1H-imidazol-5-ol has a molecular weight of 127.15 g/mol, XLogP of -0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-1H-imidazol-5-ol is sourced from PubChem (CID 82467731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).