1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole

C27H22Cl2N2O — CID 67049323

IUPAC1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
SMILESCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3C3CC3)cc2)cc1
InChIInChI=1S/C27H22Cl2N2O/c1-32-23-12-7-20(8-13-23)19-5-2-18(3-6-19)4-15-27-30-26(17-31(27)22-10-11-22)24-14-9-21(28)16-25(24)29/h2-9,12-17,22H,10-11H2,1H3
InChIKeyDQPPCTPRSYXQIB-UHFFFAOYSA-N
MW461.39 g/mol
LogP8.04
Rot. Bonds6

About 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole

1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole (PubChem CID 67049323) has the molecular formula C27H22Cl2N2O and a molecular weight of 461.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
PubChem CID67049323
Molecular FormulaC27H22Cl2N2O
Molecular Weight461.39 g/mol
Exact Mass460.11
IUPAC Name1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole
SMILESCOc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3C3CC3)cc2)cc1
InChIInChI=1S/C27H22Cl2N2O/c1-32-23-12-7-20(8-13-23)19-5-2-18(3-6-19)4-15-27-30-26(17-31(27)22-10-11-22)24-14-9-21(28)16-25(24)29/h2-9,12-17,22H,10-11H2,1H3
InChIKeyDQPPCTPRSYXQIB-UHFFFAOYSA-N
XLogP8.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The IUPAC name of 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole (CID 67049323) is 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The canonical SMILES for 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole is COc1ccc(-c2ccc(C=Cc3nc(-c4ccc(Cl)cc4Cl)cn3C3CC3)cc2)cc1.
What is the InChIKey of 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
The InChIKey is DQPPCTPRSYXQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N2O/c1-32-23-12-7-20(8-13-23)19-5-2-18(3-6-19)4-15-27-30-26(17-31(27)22-10-11-22)24-14-9-21(28)16-25(24)29/h2-9,12-17,22H,10-11H2,1H3.
What are the key properties of 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole?
1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole has a molecular weight of 461.39 g/mol, XLogP of 8.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,4-dichlorophenyl)-2-[2-[4-(4-methoxyphenyl)phenyl]ethenyl]imidazole is sourced from PubChem (CID 67049323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).