1-methyl-4-(phenoxymethyl)imidazol-2-amine

C11H13N3O — CID 117191438

IUPAC1-methyl-4-(phenoxymethyl)imidazol-2-amine
SMILESCn1cc(COc2ccccc2)nc1N
InChIInChI=1S/C11H13N3O/c1-14-7-9(13-11(14)12)8-15-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyCGXSKRKLNORLRI-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.58
Rot. Bonds3

About 1-methyl-4-(phenoxymethyl)imidazol-2-amine

1-methyl-4-(phenoxymethyl)imidazol-2-amine (PubChem CID 117191438) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-methyl-4-(phenoxymethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-methyl-4-(phenoxymethyl)imidazol-2-amine
PubChem CID117191438
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-methyl-4-(phenoxymethyl)imidazol-2-amine
SMILESCn1cc(COc2ccccc2)nc1N
InChIInChI=1S/C11H13N3O/c1-14-7-9(13-11(14)12)8-15-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13)
InChIKeyCGXSKRKLNORLRI-UHFFFAOYSA-N
XLogP1.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyphenoxy)methyl]-1-methylimidazol-2-amine
CID 117191477
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
4-[(4-methoxyphenoxy)methyl]-1,2-dimethylimidazole
CID 117191574
4-[(4-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191974
4-[(3-bromophenoxy)methyl]-1-ethylimidazol-2-amine
CID 117191924
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2,6-diethyl-4-(phenoxymethyl)pyridine
CID 91150139
[1-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]methanamine
CID 82472130
1-methyl-4-[[4-(trifluoromethyl)phenoxy]methyl]imidazole-2-carboxylic acid
CID 117191700
2-[2-(phenoxymethyl)imidazo[1,2-a]pyrimidin-6-yl]aniline
CID 122506591
2-(1-methylpyrazol-4-yl)-4-(phenoxymethyl)-1,3-thiazole
CID 47287665
ethyl 1-methyl-5-(phenoxymethyl)-1,2,4-triazole-3-carboxylate
CID 55218772

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(phenoxymethyl)imidazol-2-amine?
The IUPAC name of 1-methyl-4-(phenoxymethyl)imidazol-2-amine (CID 117191438) is 1-methyl-4-(phenoxymethyl)imidazol-2-amine.
What is the SMILES notation for 1-methyl-4-(phenoxymethyl)imidazol-2-amine?
The canonical SMILES for 1-methyl-4-(phenoxymethyl)imidazol-2-amine is Cn1cc(COc2ccccc2)nc1N.
What is the InChIKey of 1-methyl-4-(phenoxymethyl)imidazol-2-amine?
The InChIKey is CGXSKRKLNORLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-14-7-9(13-11(14)12)8-15-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,12,13).
What are the key properties of 1-methyl-4-(phenoxymethyl)imidazol-2-amine?
1-methyl-4-(phenoxymethyl)imidazol-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(phenoxymethyl)imidazol-2-amine is sourced from PubChem (CID 117191438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).