4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole

C14H16Cl2N2 — CID 70412607

IUPAC4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(-c2cccc(Cl)c2)nc1CC(C)CCl
InChIInChI=1S/C14H16Cl2N2/c1-9(8-15)6-13-10(2)17-14(18-13)11-4-3-5-12(16)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)
InChIKeyNOXOTCGGHLXASK-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.46
Rot. Bonds4

About 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole

4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole (PubChem CID 70412607) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole
PubChem CID70412607
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole
SMILESCc1[nH]c(-c2cccc(Cl)c2)nc1CC(C)CCl
InChIInChI=1S/C14H16Cl2N2/c1-9(8-15)6-13-10(2)17-14(18-13)11-4-3-5-12(16)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)
InChIKeyNOXOTCGGHLXASK-UHFFFAOYSA-N
XLogP4.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole?
The IUPAC name of 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole (CID 70412607) is 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole is Cc1[nH]c(-c2cccc(Cl)c2)nc1CC(C)CCl.
What is the InChIKey of 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole?
The InChIKey is NOXOTCGGHLXASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-9(8-15)6-13-10(2)17-14(18-13)11-4-3-5-12(16)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,18).
What are the key properties of 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole?
4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole has a molecular weight of 283.20 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-methylpropyl)-2-(3-chlorophenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 70412607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).