2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine

C11H13N3O — CID 117187285

IUPAC2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine
SMILESCc1cccc(OCc2ncc(N)[nH]2)c1
InChIInChI=1S/C11H13N3O/c1-8-3-2-4-9(5-8)15-7-11-13-6-10(12)14-11/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyWFRVKRLZKHIGBK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.88
Rot. Bonds3

About 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine

2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine (PubChem CID 117187285) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine
PubChem CID117187285
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine
SMILESCc1cccc(OCc2ncc(N)[nH]2)c1
InChIInChI=1S/C11H13N3O/c1-8-3-2-4-9(5-8)15-7-11-13-6-10(12)14-11/h2-6H,7,12H2,1H3,(H,13,14)
InChIKeyWFRVKRLZKHIGBK-UHFFFAOYSA-N
XLogP1.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
CID 117187295
4-[(3-methylphenoxy)methyl]aniline
CID 16789694
3-[(3-methylphenoxy)methyl]pyridin-2-amine
CID 62465645
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
2-methyl-5-[(3-methylphenoxy)methyl]-1,3-oxazole
CID 117192249
2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-amino-3-(3-methylphenoxy)propan-1-ol
CID 64802695
3-[(3-methylphenoxy)methyl]quinolin-2-amine
CID 62193527

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine?
The IUPAC name of 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine (CID 117187285) is 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine.
What is the SMILES notation for 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine?
The canonical SMILES for 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine is Cc1cccc(OCc2ncc(N)[nH]2)c1.
What is the InChIKey of 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine?
The InChIKey is WFRVKRLZKHIGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8-3-2-4-9(5-8)15-7-11-13-6-10(12)14-11/h2-6H,7,12H2,1H3,(H,13,14).
What are the key properties of 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine?
2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine has a molecular weight of 203.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine is sourced from PubChem (CID 117187285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).