2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol

C13H17N3O — CID 116881641

IUPAC2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
SMILESCc1ccc(-c2cnc(C(O)CN)[nH]2)cc1C
InChIInChI=1S/C13H17N3O/c1-8-3-4-10(5-9(8)2)11-7-15-13(16-11)12(17)6-14/h3-5,7,12,17H,6,14H2,1-2H3,(H,15,16)
InChIKeyBYQVGENBFHVZFQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol

2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol (PubChem CID 116881641) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
PubChem CID116881641
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol
SMILESCc1ccc(-c2cnc(C(O)CN)[nH]2)cc1C
InChIInChI=1S/C13H17N3O/c1-8-3-4-10(5-9(8)2)11-7-15-13(16-11)12(17)6-14/h3-5,7,12,17H,6,14H2,1-2H3,(H,15,16)
InChIKeyBYQVGENBFHVZFQ-UHFFFAOYSA-N
XLogP1.69
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 65230425
2-amino-1-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881704
3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544302
2-amino-1-[5-(3-fluorophenyl)-1H-imidazol-2-yl]ethanol
CID 116881716
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876636
5-[2-(2-amino-1-hydroxyethyl)-1H-imidazol-5-yl]-3H-1,3-benzoxazol-2-one
CID 116881708
2-amino-1-[5-(2,3-dihydro-1-benzofuran-5-yl)-1H-imidazol-2-yl]ethanol
CID 116881709
1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 43651401
[3-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882710
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232570
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882853

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
The IUPAC name of 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol (CID 116881641) is 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol is Cc1ccc(-c2cnc(C(O)CN)[nH]2)cc1C.
What is the InChIKey of 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
The InChIKey is BYQVGENBFHVZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-3-4-10(5-9(8)2)11-7-15-13(16-11)12(17)6-14/h3-5,7,12,17H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol?
2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol has a molecular weight of 231.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]ethanol is sourced from PubChem (CID 116881641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).