1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole

C20H20Cl2N2O — CID 21481581

IUPAC1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole
SMILESCC(C)C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1
InChIInChI=1S/C20H20Cl2N2O/c1-14(2)20(24-10-9-23-13-24)16-5-3-4-6-19(16)25-12-15-7-8-17(21)18(22)11-15/h3-11,13-14,20H,12H2,1-2H3
InChIKeyKTACBQCKIDSILG-UHFFFAOYSA-N
MW375.30 g/mol
LogP6.01
Rot. Bonds6

About 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole

1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole (PubChem CID 21481581) has the molecular formula C20H20Cl2N2O and a molecular weight of 375.30 g/mol. Its IUPAC name is 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole
PubChem CID21481581
Molecular FormulaC20H20Cl2N2O
Molecular Weight375.30 g/mol
Exact Mass374.10
IUPAC Name1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole
SMILESCC(C)C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1
InChIInChI=1S/C20H20Cl2N2O/c1-14(2)20(24-10-9-23-13-24)16-5-3-4-6-19(16)25-12-15-7-8-17(21)18(22)11-15/h3-11,13-14,20H,12H2,1-2H3
InChIKeyKTACBQCKIDSILG-UHFFFAOYSA-N
XLogP6.01
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
1-[4-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]imidazole
CID 21481647
1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanamine
CID 63499414
5-[(2-butan-2-ylphenoxy)methyl]-2-chloroaniline
CID 43349954
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
CID 71397350
1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383
(1S)-1-[2-[(3,4-dichlorophenyl)methoxy]-4-fluorophenyl]ethanamine
CID 78936076
1-[1-[2-[(4-bromophenyl)methoxy]-5-pentylphenyl]butyl]imidazole
CID 91324500
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
1-[2-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 60878818
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole?
The IUPAC name of 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole (CID 21481581) is 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole?
The canonical SMILES for 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole is CC(C)C(c1ccccc1OCc1ccc(Cl)c(Cl)c1)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole?
The InChIKey is KTACBQCKIDSILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O/c1-14(2)20(24-10-9-23-13-24)16-5-3-4-6-19(16)25-12-15-7-8-17(21)18(22)11-15/h3-11,13-14,20H,12H2,1-2H3.
What are the key properties of 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole?
1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole has a molecular weight of 375.30 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylpropyl]imidazole is sourced from PubChem (CID 21481581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).