1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole

C27H21BrN2 — CID 16987379

IUPAC1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESBrc1ccc(Cn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H21BrN2/c28-24-16-12-21(13-17-24)19-30-26-9-5-4-8-25(26)29-27(30)18-20-10-14-23(15-11-20)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKeyZTPARQFPMFWUHG-UHFFFAOYSA-N
MW453.38 g/mol
LogP7.10
Rot. Bonds5

About 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole

1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole (PubChem CID 16987379) has the molecular formula C27H21BrN2 and a molecular weight of 453.38 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
PubChem CID16987379
Molecular FormulaC27H21BrN2
Molecular Weight453.38 g/mol
Exact Mass452.09
IUPAC Name1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
SMILESBrc1ccc(Cn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1
InChIInChI=1S/C27H21BrN2/c28-24-16-12-21(13-17-24)19-30-26-9-5-4-8-25(26)29-27(30)18-20-10-14-23(15-11-20)22-6-2-1-3-7-22/h1-17H,18-19H2
InChIKeyZTPARQFPMFWUHG-UHFFFAOYSA-N
XLogP7.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.38
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987371
1-[(3-methylphenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole
CID 16987368
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
3-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]propane-1,2-diol
CID 45144782
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
1-[(4-bromophenyl)methyl]-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 16997072
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
1-benzyl-2-[3-(1-benzylbenzimidazol-2-yl)propyl]benzimidazole
CID 21369618
2-[(4-chlorophenyl)methyl]-1-[(2,6-dichlorophenyl)methyl]benzimidazole
CID 18878418

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole (CID 16987379) is 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole is Brc1ccc(Cn2c(Cc3ccc(-c4ccccc4)cc3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
The InChIKey is ZTPARQFPMFWUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21BrN2/c28-24-16-12-21(13-17-24)19-30-26-9-5-4-8-25(26)29-27(30)18-20-10-14-23(15-11-20)22-6-2-1-3-7-22/h1-17H,18-19H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole?
1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole has a molecular weight of 453.38 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-[(4-phenylphenyl)methyl]benzimidazole is sourced from PubChem (CID 16987379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).