1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole

C62H43BrCl2N10 — CID 161353074

IUPAC1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H13BrN2.2C15H10ClN3.C13H10N2/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14;2*16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-13H;2*1-10H;1-10H
InChIKeyVOEGVUHBTUGUQR-UHFFFAOYSA-N
MW1078.91 g/mol
LogP16.20
Rot. Bonds7

About 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole

1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole (PubChem CID 161353074) has the molecular formula C62H43BrCl2N10 and a molecular weight of 1078.91 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole
PubChem CID161353074
Molecular FormulaC62H43BrCl2N10
Molecular Weight1078.91 g/mol
Exact Mass1076.22
IUPAC Name1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole
SMILESBrc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H13BrN2.2C15H10ClN3.C13H10N2/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14;2*16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-13H;2*1-10H;1-10H
InChIKeyVOEGVUHBTUGUQR-UHFFFAOYSA-N
XLogP16.20
TPSA112.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.91
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[4-[4,6-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 152919581
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-pyridin-4-ylbenzimidazole
CID 155173998
1-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzimidazole
CID 155179256
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 155173927
1-[4-[2-[3-(benzimidazol-1-yl)phenyl]phenyl]phenyl]-2-phenylbenzimidazole;1-[2-[3,5-bis(benzimidazol-1-yl)phenyl]-3-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;1-[3-[2,6-bis(benzimidazol-1-yl)phenyl]-5-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole;2-phenyl-1-[3-[2-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenyl]benzimidazole
CID 159476548
1-(4-bromophenyl)-2-(4-methoxyphenyl)benzimidazole
CID 134817006
1-phenyl-2-[4-[4-(4,5,6-triphenylpyrimidin-2-yl)phenyl]phenyl]benzimidazole
CID 155140715
[4-(2-phenylbenzimidazol-1-yl)phenyl]phosphane
CID 174737756

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole?
The IUPAC name of 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole (CID 161353074) is 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole?
The canonical SMILES for 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole is Brc1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole?
The InChIKey is VOEGVUHBTUGUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2.2C15H10ClN3.C13H10N2/c20-15-10-12-16(13-11-15)22-18-9-5-4-8-17(18)21-19(22)14-6-2-1-3-7-14;2*16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12;1-2-6-11(7-3-1)15-10-14-12-8-4-5-9-13(12)15/h1-13H;2*1-10H;1-10H.
What are the key properties of 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole?
1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole has a molecular weight of 1078.91 g/mol, XLogP of 16.20, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-phenylbenzimidazole;bis(2-chloro-4,6-diphenyl-1,3,5-triazine);1-phenylbenzimidazole is sourced from PubChem (CID 161353074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).