4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole

C15H18Cl2N2 — CID 138530589

IUPAC4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1[nH]c(CC(C)c2ccccc2Cl)nc1Cl
InChIInChI=1S/C15H18Cl2N2/c1-9(2)14-15(17)19-13(18-14)8-10(3)11-6-4-5-7-12(11)16/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyYMITZVNTYUCHTM-UHFFFAOYSA-N
MW297.23 g/mol
LogP5.19
Rot. Bonds4

About 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole

4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole (PubChem CID 138530589) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole
PubChem CID138530589
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1[nH]c(CC(C)c2ccccc2Cl)nc1Cl
InChIInChI=1S/C15H18Cl2N2/c1-9(2)14-15(17)19-13(18-14)8-10(3)11-6-4-5-7-12(11)16/h4-7,9-10H,8H2,1-3H3,(H,18,19)
InChIKeyYMITZVNTYUCHTM-UHFFFAOYSA-N
XLogP5.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.23
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole?
The IUPAC name of 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole (CID 138530589) is 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole is CC(C)c1[nH]c(CC(C)c2ccccc2Cl)nc1Cl.
What is the InChIKey of 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole?
The InChIKey is YMITZVNTYUCHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-9(2)14-15(17)19-13(18-14)8-10(3)11-6-4-5-7-12(11)16/h4-7,9-10H,8H2,1-3H3,(H,18,19).
What are the key properties of 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole?
4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole has a molecular weight of 297.23 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(2-chlorophenyl)propyl]-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 138530589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).