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

C12H12Cl2N2 — CID 107091792

IUPAC1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C12H12Cl2N2/c1-8-9(2)16(7-15-8)6-10-4-3-5-11(13)12(10)14/h3-5,7H,6H2,1-2H3
InChIKeyYWNNWWUSBAGYQT-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.86
Rot. Bonds2

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

1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole (PubChem CID 107091792) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
PubChem CID107091792
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole
SMILESCc1ncn(Cc2cccc(Cl)c2Cl)c1C
InChIInChI=1S/C12H12Cl2N2/c1-8-9(2)16(7-15-8)6-10-4-3-5-11(13)12(10)14/h3-5,7H,6H2,1-2H3
InChIKeyYWNNWWUSBAGYQT-UHFFFAOYSA-N
XLogP3.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)methyl]-4,5-dimethylimidazole
CID 115624826
1-[(2,6-dimethylphenyl)methyl]-4,5-dimethylimidazole
CID 115641222
3-[(3-chloro-2-fluorophenyl)methyl]-5-iodo-6-methylpyrimidin-4-one
CID 102858170
N-[2-[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]ethyl]-2-methylpropan-2-amine
CID 115464368
5-chloro-2-[(4,5-dimethylimidazol-1-yl)methyl]aniline
CID 62352131
3-(2,3-dichlorophenyl)-4-[(2,3-dichlorophenyl)methyl]-1,2,4-triazole
CID 16678288
1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 107306870
N-[[2-[(4,5-dimethylimidazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62441973
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
1-[(5-chloro-2-methoxyphenyl)methyl]-4,5-dimethylimidazole
CID 115624836
1-[1-[(2,3-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propan-1-ol
CID 107309902
4-[(4,5-dimethylimidazol-1-yl)methyl]phenol
CID 116621780

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole (CID 107091792) is 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole is Cc1ncn(Cc2cccc(Cl)c2Cl)c1C.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole?
The InChIKey is YWNNWWUSBAGYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-8-9(2)16(7-15-8)6-10-4-3-5-11(13)12(10)14/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole?
1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole has a molecular weight of 255.15 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-4,5-dimethylimidazole is sourced from PubChem (CID 107091792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).