2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole

C21H15ClN2 — CID 67164143

IUPAC2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
SMILESClc1ccc(C=Cc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H15ClN2/c22-18-10-6-15(7-11-18)8-13-21-23-19-12-9-17(14-20(19)24-21)16-4-2-1-3-5-16/h1-14H,(H,23,24)
InChIKeyPZKMTHGYRTZDJB-UHFFFAOYSA-N
MW330.82 g/mol
LogP6.05
Rot. Bonds3

About 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole

2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole (PubChem CID 67164143) has the molecular formula C21H15ClN2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
PubChem CID67164143
Molecular FormulaC21H15ClN2
Molecular Weight330.82 g/mol
Exact Mass330.09
IUPAC Name2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
SMILESClc1ccc(C=Cc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C21H15ClN2/c22-18-10-6-15(7-11-18)8-13-21-23-19-12-9-17(14-20(19)24-21)16-4-2-1-3-5-16/h1-14H,(H,23,24)
InChIKeyPZKMTHGYRTZDJB-UHFFFAOYSA-N
XLogP6.05
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 141198504
2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 24759485
4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
CID 77336502
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
2-[2-[2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165606
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
2-[2-[2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165745
2-(6-phenyl-1H-benzimidazol-2-yl)ethanamine
CID 155970920

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole?
The IUPAC name of 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole (CID 67164143) is 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole is Clc1ccc(C=Cc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole?
The InChIKey is PZKMTHGYRTZDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2/c22-18-10-6-15(7-11-18)8-13-21-23-19-12-9-17(14-20(19)24-21)16-4-2-1-3-5-16/h1-14H,(H,23,24).
What are the key properties of 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole?
2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole has a molecular weight of 330.82 g/mol, XLogP of 6.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole is sourced from PubChem (CID 67164143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).