4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole

C29H24Cl2N2O — CID 69307493

IUPAC4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole
SMILESCOc1ccc(-c2[nH]c(CC(C)c3cccc4ccccc34)nc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C29H24Cl2N2O/c1-18(23-9-5-7-19-6-3-4-8-24(19)23)16-27-32-28(20-10-13-22(34-2)14-11-20)29(33-27)21-12-15-25(30)26(31)17-21/h3-15,17-18H,16H2,1-2H3,(H,32,33)
InChIKeyMWTPWINLSDAIOK-UHFFFAOYSA-N
MW487.43 g/mol
LogP8.56
Rot. Bonds6

About 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole

4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole (PubChem CID 69307493) has the molecular formula C29H24Cl2N2O and a molecular weight of 487.43 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole
PubChem CID69307493
Molecular FormulaC29H24Cl2N2O
Molecular Weight487.43 g/mol
Exact Mass486.13
IUPAC Name4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole
SMILESCOc1ccc(-c2[nH]c(CC(C)c3cccc4ccccc34)nc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C29H24Cl2N2O/c1-18(23-9-5-7-19-6-3-4-8-24(19)23)16-27-32-28(20-10-13-22(34-2)14-11-20)29(33-27)21-12-15-25(30)26(31)17-21/h3-15,17-18H,16H2,1-2H3,(H,32,33)
InChIKeyMWTPWINLSDAIOK-UHFFFAOYSA-N
XLogP8.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole (CID 69307493) is 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole is COc1ccc(-c2[nH]c(CC(C)c3cccc4ccccc34)nc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole?
The InChIKey is MWTPWINLSDAIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24Cl2N2O/c1-18(23-9-5-7-19-6-3-4-8-24(19)23)16-27-32-28(20-10-13-22(34-2)14-11-20)29(33-27)21-12-15-25(30)26(31)17-21/h3-15,17-18H,16H2,1-2H3,(H,32,33).
What are the key properties of 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole?
4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole has a molecular weight of 487.43 g/mol, XLogP of 8.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-(2-naphthalen-1-ylpropyl)-1H-imidazole is sourced from PubChem (CID 69307493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).