2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane

C34H36BBrN2 — CID 67927141

IUPAC2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane
SMILESBrc1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1.CCCCB(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H23B.C16H13BrN2/c1-4-5-14-19(17-12-8-6-10-15(17)2)18-13-9-7-11-16(18)3;17-14-8-6-12(7-9-14)10-16-18-11-15(19-16)13-4-2-1-3-5-13/h6-13H,4-5,14H2,1-3H3;1-9,11H,10H2,(H,18,19)
InChIKeyCRVMYYGHSRYJJV-UHFFFAOYSA-N
MW563.39 g/mol
LogP8.14
Rot. Bonds8

About 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane

2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane (PubChem CID 67927141) has the molecular formula C34H36BBrN2 and a molecular weight of 563.39 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane
PubChem CID67927141
Molecular FormulaC34H36BBrN2
Molecular Weight563.39 g/mol
Exact Mass562.22
IUPAC Name2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane
SMILESBrc1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1.CCCCB(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H23B.C16H13BrN2/c1-4-5-14-19(17-12-8-6-10-15(17)2)18-13-9-7-11-16(18)3;17-14-8-6-12(7-9-14)10-16-18-11-15(19-16)13-4-2-1-3-5-13/h6-13H,4-5,14H2,1-3H3;1-9,11H,10H2,(H,18,19)
InChIKeyCRVMYYGHSRYJJV-UHFFFAOYSA-N
XLogP8.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.39
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-5-(3-butylphenyl)-1H-imidazole
CID 91210581
2-[(4-bromophenyl)methyl]-1H-imidazole;hex-3-enyl-bis(2-methylphenyl)borane
CID 67927571
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 142780374
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
5-(2-bromophenyl)-2-butyl-1H-imidazole
CID 67753296
5-[4-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methyl]-1H-imidazole
CID 18755583
(1S)-1-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 67213867
2-[(4-bromophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021303
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane?
The IUPAC name of 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane (CID 67927141) is 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane is Brc1ccc(Cc2ncc(-c3ccccc3)[nH]2)cc1.CCCCB(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane?
The InChIKey is CRVMYYGHSRYJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23B.C16H13BrN2/c1-4-5-14-19(17-12-8-6-10-15(17)2)18-13-9-7-11-16(18)3;17-14-8-6-12(7-9-14)10-16-18-11-15(19-16)13-4-2-1-3-5-13/h6-13H,4-5,14H2,1-3H3;1-9,11H,10H2,(H,18,19).
What are the key properties of 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane?
2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane has a molecular weight of 563.39 g/mol, XLogP of 8.14, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-5-phenyl-1H-imidazole;butyl-bis(2-methylphenyl)borane is sourced from PubChem (CID 67927141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).