2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole

C24H18ClN3O2 — CID 58510218

IUPAC2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole
SMILES[C-]#[N+]c1ccc(COc2ccc(-c3cnc(-c4ccc(Cl)cc4)[nH]3)c(OC)c2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-26-19-9-3-16(4-10-19)15-30-20-11-12-21(23(13-20)29-2)22-14-27-24(28-22)17-5-7-18(25)8-6-17/h3-14H,15H2,2H3,(H,27,28)
InChIKeyFCORYWKTJBRAON-UHFFFAOYSA-N
MW415.88 g/mol
LogP6.54
Rot. Bonds6

About 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole

2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole (PubChem CID 58510218) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole
PubChem CID58510218
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC Name2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole
SMILES[C-]#[N+]c1ccc(COc2ccc(-c3cnc(-c4ccc(Cl)cc4)[nH]3)c(OC)c2)cc1
InChIInChI=1S/C24H18ClN3O2/c1-26-19-9-3-16(4-10-19)15-30-20-11-12-21(23(13-20)29-2)22-14-27-24(28-22)17-5-7-18(25)8-6-17/h3-14H,15H2,2H3,(H,27,28)
InChIKeyFCORYWKTJBRAON-UHFFFAOYSA-N
XLogP6.54
TPSA51.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole?
The IUPAC name of 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole (CID 58510218) is 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole is [C-]#[N+]c1ccc(COc2ccc(-c3cnc(-c4ccc(Cl)cc4)[nH]3)c(OC)c2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole?
The InChIKey is FCORYWKTJBRAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c1-26-19-9-3-16(4-10-19)15-30-20-11-12-21(23(13-20)29-2)22-14-27-24(28-22)17-5-7-18(25)8-6-17/h3-14H,15H2,2H3,(H,27,28).
What are the key properties of 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole?
2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole has a molecular weight of 415.88 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[4-[(4-isocyanophenyl)methoxy]-2-methoxyphenyl]-1H-imidazole is sourced from PubChem (CID 58510218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).