5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole

C12H13ClN2O2 — CID 116883702

IUPAC5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
SMILESCCOc1ccc(-c2cnc(OC)[nH]2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-17-11-5-4-8(6-9(11)13)10-7-14-12(15-10)16-2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyGNZXVVJLVURDML-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.14
Rot. Bonds4

About 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole

5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole (PubChem CID 116883702) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
PubChem CID116883702
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole
SMILESCCOc1ccc(-c2cnc(OC)[nH]2)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-3-17-11-5-4-8(6-9(11)13)10-7-14-12(15-10)16-2/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyGNZXVVJLVURDML-UHFFFAOYSA-N
XLogP3.14
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-4-methoxyphenyl)-N-methyl-1H-imidazol-2-amine
CID 116879409
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
CID 116879693
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
3-chloro-5-(3-chloro-4-ethoxyphenyl)-1,2,4-triazine
CID 96667491
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
5-(4-ethylsulfanylphenyl)-2-methoxy-1H-imidazole
CID 116883734
5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-amine
CID 82286480
2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
4-chloro-6-(3-chloro-4-ethoxyphenyl)pyrimidine
CID 24902174
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
5-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 976021

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole (CID 116883702) is 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole is CCOc1ccc(-c2cnc(OC)[nH]2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole?
The InChIKey is GNZXVVJLVURDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-17-11-5-4-8(6-9(11)13)10-7-14-12(15-10)16-2/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole?
5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole has a molecular weight of 252.70 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-2-methoxy-1H-imidazole is sourced from PubChem (CID 116883702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).