1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole

C14H17ClN2O — CID 143306337

IUPAC1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole
SMILESCCOCc1nccn1Cc1cc(C)cc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-3-18-10-14-16-4-5-17(14)9-12-6-11(2)7-13(15)8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyUHHUFCPAGIPJKQ-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.43
Rot. Bonds5

About 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole

1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole (PubChem CID 143306337) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole.

Molecular Properties

Compound Name1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole
PubChem CID143306337
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole
SMILESCCOCc1nccn1Cc1cc(C)cc(Cl)c1
InChIInChI=1S/C14H17ClN2O/c1-3-18-10-14-16-4-5-17(14)9-12-6-11(2)7-13(15)8-12/h4-8H,3,9-10H2,1-2H3
InChIKeyUHHUFCPAGIPJKQ-UHFFFAOYSA-N
XLogP3.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-azidoethyl)-2-(ethoxymethyl)imidazole
CID 90813070
1-[(3,5-dichlorophenyl)methyl]-2-[[3-(trifluoromethyl)phenoxy]methyl]imidazole
CID 11949842
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
2-(chloromethyl)-1-(ethoxymethyl)imidazole
CID 65369655
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
[1-[(5-methyl-3-pyridinyl)methyl]imidazol-2-yl]methanamine
CID 102877958
1-(3-chloro-5-methylphenyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 105009539
N-[[1-[(3-methylphenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 42818947
1-[(3-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561963
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]imidazole;hydrochloride
CID 2779195

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole?
The IUPAC name of 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole (CID 143306337) is 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole.
What is the SMILES notation for 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole?
The canonical SMILES for 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole is CCOCc1nccn1Cc1cc(C)cc(Cl)c1.
What is the InChIKey of 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole?
The InChIKey is UHHUFCPAGIPJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-3-18-10-14-16-4-5-17(14)9-12-6-11(2)7-13(15)8-12/h4-8H,3,9-10H2,1-2H3.
What are the key properties of 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole?
1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole has a molecular weight of 264.76 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-methylphenyl)methyl]-2-(ethoxymethyl)imidazole is sourced from PubChem (CID 143306337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).