4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole

C17H13Cl3N2 — CID 141255860

IUPAC4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
SMILESCc1[nH]c(Cc2c(Cl)cccc2Cl)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H13Cl3N2/c1-10-17(11-4-2-5-12(18)8-11)22-16(21-10)9-13-14(19)6-3-7-15(13)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyLPZDCICVRDRLEH-UHFFFAOYSA-N
MW351.66 g/mol
LogP5.94
Rot. Bonds3

About 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole

4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole (PubChem CID 141255860) has the molecular formula C17H13Cl3N2 and a molecular weight of 351.66 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
PubChem CID141255860
Molecular FormulaC17H13Cl3N2
Molecular Weight351.66 g/mol
Exact Mass350.01
IUPAC Name4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole
SMILESCc1[nH]c(Cc2c(Cl)cccc2Cl)nc1-c1cccc(Cl)c1
InChIInChI=1S/C17H13Cl3N2/c1-10-17(11-4-2-5-12(18)8-11)22-16(21-10)9-13-14(19)6-3-7-15(13)20/h2-8H,9H2,1H3,(H,21,22)
InChIKeyLPZDCICVRDRLEH-UHFFFAOYSA-N
XLogP5.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.66
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-5-methyl-4-phenyl-1H-imidazole
CID 141255877
3-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-3-amine
CID 79813477
1-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 43649836
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65233339
2-[4-(3-chlorophenyl)-5-methyl-1H-imidazol-2-yl]butan-1-amine
CID 65233463
2-[(2,6-dichlorophenyl)methyl]-4-methyl-1H-pyrimidin-6-one
CID 135418993
4-(3-chlorophenyl)-2-ethyl-5-methyl-1H-pyrimidin-6-one
CID 136692221
2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole
CID 91201769
2-[(3-bromo-4-chlorophenyl)methyl]-4-(3,4-dichlorophenyl)-5-methyl-1H-imidazole
CID 68564498
4-(2,4-dichlorophenyl)-2-[(3,5-dichlorophenyl)methyl]-5-methyl-1H-imidazole
CID 91176392
2-[(2-chlorophenyl)methyl]-5-methyl-4-(2,4,5-trichlorophenyl)-1H-imidazole
CID 141255861
2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612279

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole (CID 141255860) is 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole is Cc1[nH]c(Cc2c(Cl)cccc2Cl)nc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
The InChIKey is LPZDCICVRDRLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl3N2/c1-10-17(11-4-2-5-12(18)8-11)22-16(21-10)9-13-14(19)6-3-7-15(13)20/h2-8H,9H2,1H3,(H,21,22).
What are the key properties of 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole?
4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole has a molecular weight of 351.66 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 141255860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).