1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole

C40H32N4 — CID 143996079

IUPAC1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2C.c1ccc(-c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H18N2.C15H14N2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h1-18H;3-10H,1-2H3
InChIKeyPPMYJHBGPOMDLV-UHFFFAOYSA-N
MW568.72 g/mol
LogP9.91
Rot. Bonds4

About 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole

1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole (PubChem CID 143996079) has the molecular formula C40H32N4 and a molecular weight of 568.72 g/mol. Its IUPAC name is 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole.

Molecular Properties

Compound Name1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
PubChem CID143996079
Molecular FormulaC40H32N4
Molecular Weight568.72 g/mol
Exact Mass568.26
IUPAC Name1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2C.c1ccc(-c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C25H18N2.C15H14N2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h1-18H;3-10H,1-2H3
InChIKeyPPMYJHBGPOMDLV-UHFFFAOYSA-N
XLogP9.91
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.72
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-[2-[4-[2-(2-phenylbenzimidazol-1-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186007
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
1-(2,6-diphenylphenyl)-5-methyl-2-phenylbenzimidazole;5-methyl-2-phenyl-1-(2,4,6-triphenylphenyl)benzimidazole
CID 158707390
1-[2-(benzimidazol-1-yl)-4-[2-(benzimidazol-1-yl)phenyl]phenyl]benzimidazole;1-[2-[2-(benzimidazol-1-yl)phenyl]phenyl]benzimidazole;1-[2-[3,4-bis(benzimidazol-1-yl)phenyl]phenyl]-2-phenylbenzimidazole;2-phenyl-1-[2-[2-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]benzimidazole
CID 161074614
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
6-[8-(2,3-dimethylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-1,2-dimethylbenzimidazole;2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole;1-methyl-6-[8-(3-methyl-2-phenylbenzimidazol-5-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]-2-phenylbenzimidazole;2-phenyl-1-[8-(2-phenylbenzimidazol-1-yl)-10-(4-phenylnaphthalen-1-yl)anthracen-1-yl]benzimidazole
CID 162249648
5-fluoranthen-3-yl-1,2-diphenylbenzimidazole;5-fluoranthen-3-yl-1-methyl-2-phenylbenzimidazole;1-fluoranthen-3-yl-2-phenylbenzimidazole;2-fluoranthen-3-yl-1-phenylbenzimidazole;5-(3-fluoranthen-3-ylphenyl)-1-methyl-2-phenylbenzimidazole;5-(4-fluoranthen-3-ylphenyl)-1-methyl-2-phenylbenzimidazole
CID 161340662
5-methyl-1-[2-(3-methylbutyl)phenyl]-2-phenylbenzimidazole
CID 143996063
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
CID 59593987
1-[10-naphthalen-1-yl-8-(2-phenylbenzimidazol-1-yl)anthracen-1-yl]-2-phenylbenzimidazole
CID 148932878

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole?
The IUPAC name of 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole (CID 143996079) is 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole.
What is the SMILES notation for 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole?
The canonical SMILES for 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole is Cc1ccc2c(c1)nc(-c1ccccc1)n2C.c1ccc(-c2ccccc2-n2c(-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole?
The InChIKey is PPMYJHBGPOMDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2.C15H14N2/c1-3-11-19(12-4-1)21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26-25(27)20-13-5-2-6-14-20;1-11-8-9-14-13(10-11)16-15(17(14)2)12-6-4-3-5-7-12/h1-18H;3-10H,1-2H3.
What are the key properties of 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole?
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole has a molecular weight of 568.72 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole is sourced from PubChem (CID 143996079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).