1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole

C40H30N4O — CID 137448400

IUPAC1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole
SMILESCN1c2ccccc2NC1c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5nc6ccccc6n5C)cc4)cccc23)cc1
InChIInChI=1S/C40H30N4O/c1-43-35-15-5-3-13-33(35)41-39(43)27-21-17-25(18-22-27)29-9-7-11-31-32-12-8-10-30(38(32)45-37(29)31)26-19-23-28(24-20-26)40-42-34-14-4-6-16-36(34)44(40)2/h3-24,39,41H,1-2H3
InChIKeyIBZKAHAMKXEHCB-UHFFFAOYSA-N
MW582.71 g/mol
LogP10.03
Rot. Bonds4

About 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole

1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole (PubChem CID 137448400) has the molecular formula C40H30N4O and a molecular weight of 582.71 g/mol. Its IUPAC name is 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole
PubChem CID137448400
Molecular FormulaC40H30N4O
Molecular Weight582.71 g/mol
Exact Mass582.24
IUPAC Name1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole
SMILESCN1c2ccccc2NC1c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5nc6ccccc6n5C)cc4)cccc23)cc1
InChIInChI=1S/C40H30N4O/c1-43-35-15-5-3-13-33(35)41-39(43)27-21-17-25(18-22-27)29-9-7-11-31-32-12-8-10-30(38(32)45-37(29)31)26-19-23-28(24-20-26)40-42-34-14-4-6-16-36(34)44(40)2/h3-24,39,41H,1-2H3
InChIKeyIBZKAHAMKXEHCB-UHFFFAOYSA-N
XLogP10.03
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.71
LogP ≤ 510.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-2-[3-[8-[3-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]naphthalen-1-yl]phenyl]benzimidazole
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CID 143667805
2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole (CID 137448400) is 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole is CN1c2ccccc2NC1c1ccc(-c2cccc3c2oc2c(-c4ccc(-c5nc6ccccc6n5C)cc4)cccc23)cc1.
What is the InChIKey of 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole?
The InChIKey is IBZKAHAMKXEHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4O/c1-43-35-15-5-3-13-33(35)41-39(43)27-21-17-25(18-22-27)29-9-7-11-31-32-12-8-10-30(38(32)45-37(29)31)26-19-23-28(24-20-26)40-42-34-14-4-6-16-36(34)44(40)2/h3-24,39,41H,1-2H3.
What are the key properties of 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole?
1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole has a molecular weight of 582.71 g/mol, XLogP of 10.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[6-[4-(3-methyl-1,2-dihydrobenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]phenyl]benzimidazole is sourced from PubChem (CID 137448400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).