1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole

C46H34N4 — CID 175716634

IUPAC1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
SMILESCn1c(-c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4cccc(-c5nc6ccccc6n5C)c4)c3)c2)nc2ccccc21
InChIInChI=1S/C46H34N4/c1-49-42-25-11-9-23-40(42)47-45(49)35-21-13-19-33(27-35)37-29-38(31-15-5-3-6-16-31)44(32-17-7-4-8-18-32)39(30-37)34-20-14-22-36(28-34)46-48-41-24-10-12-26-43(41)50(46)2/h3-30H,1-2H3
InChIKeyHCWMGHNNYZRDCK-UHFFFAOYSA-N
MW642.81 g/mol
LogP11.46
Rot. Bonds6

About 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole

1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole (PubChem CID 175716634) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
PubChem CID175716634
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC Name1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole
SMILESCn1c(-c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4cccc(-c5nc6ccccc6n5C)c4)c3)c2)nc2ccccc21
InChIInChI=1S/C46H34N4/c1-49-42-25-11-9-23-40(42)47-45(49)35-21-13-19-33(27-35)37-29-38(31-15-5-3-6-16-31)44(32-17-7-4-8-18-32)39(30-37)34-20-14-22-36(28-34)46-48-41-24-10-12-26-43(41)50(46)2/h3-30H,1-2H3
InChIKeyHCWMGHNNYZRDCK-UHFFFAOYSA-N
XLogP11.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
CID 175716577
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141305843
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
CID 8005690
[4-[3,5-bis(1-methylbenzimidazol-2-yl)phenyl]phenyl]boronic acid
CID 102488637
3-(1-methylbenzimidazol-2-yl)-4-phenylthiophen-2-amine
CID 23853277
2-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-methylbenzimidazole
CID 118688205
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
1-methyl-2-[4-[5-(1-methylbenzimidazol-2-yl)naphthalen-1-yl]phenyl]benzimidazole;1-methyl-2-[4-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzimidazole;1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)-2-phenylphenyl]naphthalen-1-yl]-3-phenylphenyl]benzimidazole;1-methyl-2-[5-[5-[6-(1-methylbenzimidazol-2-yl)-3-pyridinyl]naphthalen-1-yl]-2-pyridinyl]benzimidazole
CID 157117676
9,9-dimethyl-10-[2,3,4-tris(9,9-dimethylacridin-10-yl)-5-[3-(1-methylbenzimidazol-2-yl)phenyl]phenyl]acridine
CID 164705863
9-phenyl-1,3-bis[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118448479

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole (CID 175716634) is 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole is Cn1c(-c2cccc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4cccc(-c5nc6ccccc6n5C)c4)c3)c2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole?
The InChIKey is HCWMGHNNYZRDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c1-49-42-25-11-9-23-40(42)47-45(49)35-21-13-19-33(27-35)37-29-38(31-15-5-3-6-16-31)44(32-17-7-4-8-18-32)39(30-37)34-20-14-22-36(28-34)46-48-41-24-10-12-26-43(41)50(46)2/h3-30H,1-2H3.
What are the key properties of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole?
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole has a molecular weight of 642.81 g/mol, XLogP of 11.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4,5-diphenylphenyl]phenyl]benzimidazole is sourced from PubChem (CID 175716634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).