1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole

C33H28N2 — CID 170020491

IUPAC1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
SMILESCCc1nc2c(n1-c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c1)C=CCC2
InChIInChI=1S/C33H28N2/c1-2-33-34-31-18-9-10-19-32(31)35(33)30-17-11-16-26(23-30)29-21-27(24-12-5-3-6-13-24)20-28(22-29)25-14-7-4-8-15-25/h3-8,10-17,19-23H,2,9,18H2,1H3
InChIKeyYIKHINAJTYYSRR-UHFFFAOYSA-N
MW452.60 g/mol
LogP8.40
Rot. Bonds5

About 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole

1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole (PubChem CID 170020491) has the molecular formula C33H28N2 and a molecular weight of 452.60 g/mol. Its IUPAC name is 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
PubChem CID170020491
Molecular FormulaC33H28N2
Molecular Weight452.60 g/mol
Exact Mass452.23
IUPAC Name1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole
SMILESCCc1nc2c(n1-c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c1)C=CCC2
InChIInChI=1S/C33H28N2/c1-2-33-34-31-18-9-10-19-32(31)35(33)30-17-11-16-26(23-30)29-21-27(24-12-5-3-6-13-24)20-28(22-29)25-14-7-4-8-15-25/h3-8,10-17,19-23H,2,9,18H2,1H3
InChIKeyYIKHINAJTYYSRR-UHFFFAOYSA-N
XLogP8.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.60
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
CID 155420229
6-[3-(4-methylphenyl)phenyl]-9-(3-phenylphenyl)-3,4-dihydrocarbazole
CID 144639948
2-ethyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)phenyl]-4,5-dihydrobenzimidazole
CID 163531879
2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
CID 89265105
9,9-dimethyl-10-phenyl-2-[4-(2-phenyl-4,5-dihydrobenzimidazol-1-yl)phenyl]acridine
CID 71007192
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 70894526
9-[3-(3,5-diphenylphenyl)phenyl]-3,6-diphenylcarbazole
CID 166509860
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-[5-phenyl-2-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]phenyl]ethenyl]fluoren-2-amine
CID 89074960
7-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 153329342
2-ethyl-1-(3-ethylphenyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856704
12-[4-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-(3-phenylphenyl)-3,4,9,10-tetrahydroindolo[2,3-a]carbazole
CID 170024945

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole?
The IUPAC name of 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole (CID 170020491) is 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole?
The canonical SMILES for 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole is CCc1nc2c(n1-c1cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c1)C=CCC2.
What is the InChIKey of 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole?
The InChIKey is YIKHINAJTYYSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2/c1-2-33-34-31-18-9-10-19-32(31)35(33)30-17-11-16-26(23-30)29-21-27(24-12-5-3-6-13-24)20-28(22-29)25-14-7-4-8-15-25/h3-8,10-17,19-23H,2,9,18H2,1H3.
What are the key properties of 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole?
1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole has a molecular weight of 452.60 g/mol, XLogP of 8.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-diphenylphenyl)phenyl]-2-ethyl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 170020491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).