[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine

C13H17N3O — CID 82289204

IUPAC[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
SMILESCCOc1ccc(-c2nc(CN)c(C)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-11-6-4-10(5-7-11)13-15-9(2)12(8-14)16-13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyOBVXQADPILHXGX-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.24
Rot. Bonds4

About [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine

[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine (PubChem CID 82289204) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
PubChem CID82289204
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
SMILESCCOc1ccc(-c2nc(CN)c(C)[nH]2)cc1
InChIInChI=1S/C13H17N3O/c1-3-17-11-6-4-10(5-7-11)13-15-9(2)12(8-14)16-13/h4-7H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyOBVXQADPILHXGX-UHFFFAOYSA-N
XLogP2.24
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine
CID 82285142
[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]methanamine
CID 82288528
1-[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]ethanone
CID 82085429
2-(4-methoxyphenyl)-5-methyl-4-propyl-1H-imidazole
CID 160651748
ethyl 2-[2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-yl]acetate
CID 123322949
4-(chloromethyl)-2-(4-methoxyphenyl)-5-methyl-1H-imidazole;hydrochloride
CID 22412365
2-(4-ethoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66311923
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966
1-[2-(4-ethoxyphenyl)-1H-imidazol-5-yl]ethanamine
CID 82463571
2-[5-methyl-2-(4-propan-2-ylphenyl)-1H-imidazol-4-yl]ethanamine
CID 82293864
2-(4-ethoxyphenyl)-1H-pyrimidin-6-one
CID 43654617

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
The IUPAC name of [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine (CID 82289204) is [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
The canonical SMILES for [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine is CCOc1ccc(-c2nc(CN)c(C)[nH]2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
The InChIKey is OBVXQADPILHXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-11-6-4-10(5-7-11)13-15-9(2)12(8-14)16-13/h4-7H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine?
[2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 82289204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).