4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole

C20H20Cl2N2O — CID 139695542

IUPAC4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
SMILESCCC(Oc1ccccc1)c1nc(Cc2ccc(Cl)cc2Cl)c(C)[nH]1
InChIInChI=1S/C20H20Cl2N2O/c1-3-19(25-16-7-5-4-6-8-16)20-23-13(2)18(24-20)11-14-9-10-15(21)12-17(14)22/h4-10,12,19H,3,11H2,1-2H3,(H,23,24)
InChIKeyAVWQKRSTCMUGAY-UHFFFAOYSA-N
MW375.30 g/mol
LogP6.15
Rot. Bonds6

About 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole

4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole (PubChem CID 139695542) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
PubChem CID139695542
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole
SMILESCCC(Oc1ccccc1)c1nc(Cc2ccc(Cl)cc2Cl)c(C)[nH]1
InChIInChI=1S/C20H20Cl2N2O/c1-3-19(25-16-7-5-4-6-8-16)20-23-13(2)18(24-20)11-14-9-10-15(21)12-17(14)22/h4-10,12,19H,3,11H2,1-2H3,(H,23,24)
InChIKeyAVWQKRSTCMUGAY-UHFFFAOYSA-N
XLogP6.15
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole (CID 139695542) is 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole is CCC(Oc1ccccc1)c1nc(Cc2ccc(Cl)cc2Cl)c(C)[nH]1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
The InChIKey is AVWQKRSTCMUGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-3-19(25-16-7-5-4-6-8-16)20-23-13(2)18(24-20)11-14-9-10-15(21)12-17(14)22/h4-10,12,19H,3,11H2,1-2H3,(H,23,24).
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole?
4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole has a molecular weight of 375.30 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-5-methyl-2-(1-phenoxypropyl)-1H-imidazole is sourced from PubChem (CID 139695542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).