2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole

C33H24N2O — CID 58309692

IUPAC2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1ccc2oc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc(C)cc3c2c1
InChIInChI=1S/C33H24N2O/c1-21-12-17-31-27(18-21)28-20-22(2)19-26(32(28)36-31)23-13-15-24(16-14-23)33-34-29-10-6-7-11-30(29)35(33)25-8-4-3-5-9-25/h3-20H,1-2H3
InChIKeyXMQQCDOQFXDLJC-UHFFFAOYSA-N
MW464.57 g/mol
LogP8.88
Rot. Bonds3

About 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole

2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 58309692) has the molecular formula C33H24N2O and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole
PubChem CID58309692
Molecular FormulaC33H24N2O
Molecular Weight464.57 g/mol
Exact Mass464.19
IUPAC Name2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1ccc2oc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc(C)cc3c2c1
InChIInChI=1S/C33H24N2O/c1-21-12-17-31-27(18-21)28-20-22(2)19-26(32(28)36-31)23-13-15-24(16-14-23)33-34-29-10-6-7-11-30(29)35(33)25-8-4-3-5-9-25/h3-20H,1-2H3
InChIKeyXMQQCDOQFXDLJC-UHFFFAOYSA-N
XLogP8.88
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(1-phenylbenzimidazol-2-yl)-4-[4-[8-(1-phenylbenzimidazol-2-yl)-[1]benzofuro[3,2-b]pyridin-4-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 142336592
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
11-[4-(1-phenylbenzimidazol-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 138513039
3-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-[1,2,4]triazolo[4,3-f]phenanthridine
CID 58068788
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
9-[3-(1-phenylbenzimidazol-2-yl)phenyl]-3-(2,6,8-triphenyldibenzofuran-4-yl)carbazole
CID 67818598
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085901
6-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 129086228
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole (CID 58309692) is 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole is Cc1ccc2oc3c(-c4ccc(-c5nc6ccccc6n5-c5ccccc5)cc4)cc(C)cc3c2c1.
What is the InChIKey of 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is XMQQCDOQFXDLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O/c1-21-12-17-31-27(18-21)28-20-22(2)19-26(32(28)36-31)23-13-15-24(16-14-23)33-34-29-10-6-7-11-30(29)35(33)25-8-4-3-5-9-25/h3-20H,1-2H3.
What are the key properties of 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 464.57 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 58309692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).