2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole

C25H23ClN2O — CID 69046030

IUPAC2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole
SMILESCC(C)Oc1ccc(-c2ncc(Cc3ccc(-c4ccccc4)cc3)[nH]2)cc1Cl
InChIInChI=1S/C25H23ClN2O/c1-17(2)29-24-13-12-21(15-23(24)26)25-27-16-22(28-25)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,15-17H,14H2,1-2H3,(H,27,28)
InChIKeyBENDISAYKNPSOY-UHFFFAOYSA-N
MW402.93 g/mol
LogP6.78
Rot. Bonds6

About 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole

2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole (PubChem CID 69046030) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole
PubChem CID69046030
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole
SMILESCC(C)Oc1ccc(-c2ncc(Cc3ccc(-c4ccccc4)cc3)[nH]2)cc1Cl
InChIInChI=1S/C25H23ClN2O/c1-17(2)29-24-13-12-21(15-23(24)26)25-27-16-22(28-25)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,15-17H,14H2,1-2H3,(H,27,28)
InChIKeyBENDISAYKNPSOY-UHFFFAOYSA-N
XLogP6.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole (CID 69046030) is 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole is CC(C)Oc1ccc(-c2ncc(Cc3ccc(-c4ccccc4)cc3)[nH]2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole?
The InChIKey is BENDISAYKNPSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-17(2)29-24-13-12-21(15-23(24)26)25-27-16-22(28-25)14-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-13,15-17H,14H2,1-2H3,(H,27,28).
What are the key properties of 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole?
2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole has a molecular weight of 402.93 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-propan-2-yloxyphenyl)-5-[(4-phenylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 69046030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).