1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole

C15H18Cl2N2 — CID 58460171

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole
SMILESCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(C(C)C)n1
InChIInChI=1S/C15H18Cl2N2/c1-4-12-9-19(15(18-12)10(2)3)8-11-5-6-13(16)14(17)7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyNIZZXIGNFQZASP-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.92
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole

1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole (PubChem CID 58460171) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole
PubChem CID58460171
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole
SMILESCCc1cn(Cc2ccc(Cl)c(Cl)c2)c(C(C)C)n1
InChIInChI=1S/C15H18Cl2N2/c1-4-12-9-19(15(18-12)10(2)3)8-11-5-6-13(16)14(17)7-11/h5-7,9-10H,4,8H2,1-3H3
InChIKeyNIZZXIGNFQZASP-UHFFFAOYSA-N
XLogP4.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole (CID 58460171) is 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole is CCc1cn(Cc2ccc(Cl)c(Cl)c2)c(C(C)C)n1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole?
The InChIKey is NIZZXIGNFQZASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-4-12-9-19(15(18-12)10(2)3)8-11-5-6-13(16)14(17)7-11/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole?
1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole has a molecular weight of 297.23 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-ethyl-2-propan-2-ylimidazole is sourced from PubChem (CID 58460171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).