1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole

C15H14Cl2N4 — CID 141054833

IUPAC1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole
SMILESCc1cnc(C)n1Cc1cn(-c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C15H14Cl2N4/c1-10-6-18-11(2)21(10)8-12-7-20(9-19-12)13-3-4-14(16)15(17)5-13/h3-7,9H,8H2,1-2H3
InChIKeyXBRMJEAUOOFTQT-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.04
Rot. Bonds3

About 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole

1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole (PubChem CID 141054833) has the molecular formula C15H14Cl2N4 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole.

Molecular Properties

Compound Name1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole
PubChem CID141054833
Molecular FormulaC15H14Cl2N4
Molecular Weight321.21 g/mol
Exact Mass320.06
IUPAC Name1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole
SMILESCc1cnc(C)n1Cc1cn(-c2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C15H14Cl2N4/c1-10-6-18-11(2)21(10)8-12-7-20(9-19-12)13-3-4-14(16)15(17)5-13/h3-7,9H,8H2,1-2H3
InChIKeyXBRMJEAUOOFTQT-UHFFFAOYSA-N
XLogP4.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole?
The IUPAC name of 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole (CID 141054833) is 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole.
What is the SMILES notation for 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole?
The canonical SMILES for 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole is Cc1cnc(C)n1Cc1cn(-c2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole?
The InChIKey is XBRMJEAUOOFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4/c1-10-6-18-11(2)21(10)8-12-7-20(9-19-12)13-3-4-14(16)15(17)5-13/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole?
1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole has a molecular weight of 321.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3,4-dichlorophenyl)imidazol-4-yl]methyl]-2,5-dimethylimidazole is sourced from PubChem (CID 141054833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).