1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole

C40H30N4 — CID 175716577

IUPAC1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
SMILESCn1c(-c2cccc(-c3ccc(-c4ccccc4)c(-c4cccc(-c5nc6ccccc6n5C)c4)c3)c2)nc2ccccc21
InChIInChI=1S/C40H30N4/c1-43-37-20-8-6-18-35(37)41-39(43)31-16-10-14-28(24-31)29-22-23-33(27-12-4-3-5-13-27)34(26-29)30-15-11-17-32(25-30)40-42-36-19-7-9-21-38(36)44(40)2/h3-26H,1-2H3
InChIKeyUVSGGEKGMBFIDY-UHFFFAOYSA-N
MW566.71 g/mol
LogP9.80
Rot. Bonds5

About 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole

1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole (PubChem CID 175716577) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
PubChem CID175716577
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole
SMILESCn1c(-c2cccc(-c3ccc(-c4ccccc4)c(-c4cccc(-c5nc6ccccc6n5C)c4)c3)c2)nc2ccccc21
InChIInChI=1S/C40H30N4/c1-43-37-20-8-6-18-35(37)41-39(43)31-16-10-14-28(24-31)29-22-23-33(27-12-4-3-5-13-27)34(26-29)30-15-11-17-32(25-30)40-42-36-19-7-9-21-38(36)44(40)2/h3-26H,1-2H3
InChIKeyUVSGGEKGMBFIDY-UHFFFAOYSA-N
XLogP9.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 59.80
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]-4,5-diphenylphenyl]phenyl]benzimidazole
CID 175716634
[4-[4-methyl-2-(1-methylbenzimidazol-2-yl)phenyl]phenyl]-diphenylphosphane
CID 22153302
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
1-methyl-2-[4-[5-[4-(1-methylbenzimidazol-2-yl)phenyl]naphthalen-2-yl]phenyl]benzimidazole
CID 118055725
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
1-methyl-2-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141305843
1-methyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylphenyl)benzimidazole
CID 137492695
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-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]phenyl]-1-methylbenzimidazole
CID 135245155

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole (CID 175716577) is 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole is Cn1c(-c2cccc(-c3ccc(-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-phenylphenyl]phenyl]benzimidazole?
The InChIKey is UVSGGEKGMBFIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-43-37-20-8-6-18-35(37)41-39(43)31-16-10-14-28(24-31)29-22-23-33(27-12-4-3-5-13-27)34(26-29)30-15-11-17-32(25-30)40-42-36-19-7-9-21-38(36)44(40)2/h3-26H,1-2H3.
What are the key properties of 1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole?
1-methyl-2-[3-[3-[3-(1-methylbenzimidazol-2-yl)phenyl]-4-phenylphenyl]phenyl]benzimidazole has a molecular weight of 566.71 g/mol, XLogP of 9.80, 5 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-phenylphenyl]phenyl]benzimidazole is sourced from PubChem (CID 175716577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).