2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol

C10H15N5O — CID 114706186

IUPAC2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
SMILESCn1ccnc1Cn1cncc1C(N)CO
InChIInChI=1S/C10H15N5O/c1-14-3-2-13-10(14)5-15-7-12-4-9(15)8(11)6-16/h2-4,7-8,16H,5-6,11H2,1H3
InChIKeyGDTVQVFEBNHJGZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.34
Rot. Bonds4

About 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol

2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol (PubChem CID 114706186) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
PubChem CID114706186
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
SMILESCn1ccnc1Cn1cncc1C(N)CO
InChIInChI=1S/C10H15N5O/c1-14-3-2-13-10(14)5-15-7-12-4-9(15)8(11)6-16/h2-4,7-8,16H,5-6,11H2,1H3
InChIKeyGDTVQVFEBNHJGZ-UHFFFAOYSA-N
XLogP-0.34
TPSA81.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
(1S)-1-[3-[2-(1-methylimidazol-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942632
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
2-amino-2-[3-[(2-chloro-6-methoxyphenyl)methyl]imidazol-4-yl]ethanol
CID 103293720
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
CID 114705699
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278183

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol (CID 114706186) is 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol is Cn1ccnc1Cn1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol?
The InChIKey is GDTVQVFEBNHJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-14-3-2-13-10(14)5-15-7-12-4-9(15)8(11)6-16/h2-4,7-8,16H,5-6,11H2,1H3.
What are the key properties of 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol?
2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol has a molecular weight of 221.26 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 114706186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).