1-[(4-methylphenoxy)methyl]imidazole

C11H12N2O — CID 15555875

IUPAC1-[(4-methylphenoxy)methyl]imidazole
SMILESCc1ccc(OCn2ccnc2)cc1
InChIInChI=1S/C11H12N2O/c1-10-2-4-11(5-3-10)14-9-13-7-6-12-8-13/h2-8H,9H2,1H3
InChIKeyAMGCBKYDOMCHGJ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.23
Rot. Bonds3

About 1-[(4-methylphenoxy)methyl]imidazole

1-[(4-methylphenoxy)methyl]imidazole (PubChem CID 15555875) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(4-methylphenoxy)methyl]imidazole.

Molecular Properties

Compound Name1-[(4-methylphenoxy)methyl]imidazole
PubChem CID15555875
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name1-[(4-methylphenoxy)methyl]imidazole
SMILESCc1ccc(OCn2ccnc2)cc1
InChIInChI=1S/C11H12N2O/c1-10-2-4-11(5-3-10)14-9-13-7-6-12-8-13/h2-8H,9H2,1H3
InChIKeyAMGCBKYDOMCHGJ-UHFFFAOYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
1-[(4-methylphenoxy)methyl]-1,2,4-triazole
CID 23517766
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
2-(imidazol-1-ylmethoxy)ethyl-trimethylsilane
CID 11052605
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
ethane;1-(methoxymethyl)imidazole
CID 91425375
1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 56648448
1-[2,2-bis[(4-methylphenyl)sulfanyl]ethyl]imidazole
CID 13320315
4-(imidazol-1-ylmethyl)-1-(4-methylphenyl)imidazole
CID 141054781
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenoxy)methyl]imidazole?
The IUPAC name of 1-[(4-methylphenoxy)methyl]imidazole (CID 15555875) is 1-[(4-methylphenoxy)methyl]imidazole.
What is the SMILES notation for 1-[(4-methylphenoxy)methyl]imidazole?
The canonical SMILES for 1-[(4-methylphenoxy)methyl]imidazole is Cc1ccc(OCn2ccnc2)cc1.
What is the InChIKey of 1-[(4-methylphenoxy)methyl]imidazole?
The InChIKey is AMGCBKYDOMCHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-10-2-4-11(5-3-10)14-9-13-7-6-12-8-13/h2-8H,9H2,1H3.
What are the key properties of 1-[(4-methylphenoxy)methyl]imidazole?
1-[(4-methylphenoxy)methyl]imidazole has a molecular weight of 188.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenoxy)methyl]imidazole is sourced from PubChem (CID 15555875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).