1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole

C18H17ClN2O — CID 14402688

IUPAC1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2ccc(Oc3cccc(Cl)c3)cc2)c1C
InChIInChI=1S/C18H17ClN2O/c1-13-14(2)21(12-20-13)11-15-6-8-17(9-7-15)22-18-5-3-4-16(19)10-18/h3-10,12H,11H2,1-2H3
InChIKeySAOHCEJHBJSBMC-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.99
Rot. Bonds4

About 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole

1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole (PubChem CID 14402688) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole
PubChem CID14402688
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2ccc(Oc3cccc(Cl)c3)cc2)c1C
InChIInChI=1S/C18H17ClN2O/c1-13-14(2)21(12-20-13)11-15-6-8-17(9-7-15)22-18-5-3-4-16(19)10-18/h3-10,12H,11H2,1-2H3
InChIKeySAOHCEJHBJSBMC-UHFFFAOYSA-N
XLogP4.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780
[3-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methanamine
CID 62350541
1-[4-(3-chlorophenoxy)phenyl]propan-2-amine
CID 63803972
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
3-[(3-chlorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 66339985
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
5-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]aniline
CID 62352131
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
CID 107091792
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 107880972
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole (CID 14402688) is 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole is Cc1ncn(Cc2ccc(Oc3cccc(Cl)c3)cc2)c1C.
What is the InChIKey of 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole?
The InChIKey is SAOHCEJHBJSBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-13-14(2)21(12-20-13)11-15-6-8-17(9-7-15)22-18-5-3-4-16(19)10-18/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole?
1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole has a molecular weight of 312.80 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-chlorophenoxy)phenyl]methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 14402688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).