2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole

C28H22N2O — CID 58309516

IUPAC2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21
InChIInChI=1S/C28H22N2O/c1-2-18-30-25-12-5-4-11-24(25)29-28(30)20-16-14-19(15-17-20)21-9-7-10-23-22-8-3-6-13-26(22)31-27(21)23/h3-17H,2,18H2,1H3
InChIKeyISNHZSJKJDUBSF-UHFFFAOYSA-N
MW402.50 g/mol
LogP7.68
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole

2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole (PubChem CID 58309516) has the molecular formula C28H22N2O and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole
PubChem CID58309516
Molecular FormulaC28H22N2O
Molecular Weight402.50 g/mol
Exact Mass402.17
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole
SMILESCCCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21
InChIInChI=1S/C28H22N2O/c1-2-18-30-25-12-5-4-11-24(25)29-28(30)20-16-14-19(15-17-20)21-9-7-10-23-22-8-3-6-13-26(22)31-27(21)23/h3-17H,2,18H2,1H3
InChIKeyISNHZSJKJDUBSF-UHFFFAOYSA-N
XLogP7.68
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 122627125
1-benzyl-2-dibenzofuran-4-ylbenzimidazole
CID 156657134
14-[4-(1-ethylbenzimidazol-2-yl)phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123636
2-(4-dibenzofuran-4-ylphenyl)-1-(9,9-dimethylfluoren-2-yl)benzimidazole
CID 58309665
2-dibenzofuran-4-yl-1-(2-phenyl-6-propan-2-ylphenyl)benzimidazole
CID 167356370
4-(4-propylphenyl)dibenzofuran
CID 156827246
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
3-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 58518663
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
12-(4-dibenzofuran-4-ylphenyl)-2λ6-thia-1,3,10,12,14-pentazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,13,15,17,19-octaene 2,2-dioxide
CID 171545448

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole (CID 58309516) is 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole is CCCn1c(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole?
The InChIKey is ISNHZSJKJDUBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O/c1-2-18-30-25-12-5-4-11-24(25)29-28(30)20-16-14-19(15-17-20)21-9-7-10-23-22-8-3-6-13-26(22)31-27(21)23/h3-17H,2,18H2,1H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole?
2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole has a molecular weight of 402.50 g/mol, XLogP of 7.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-1-propylbenzimidazole is sourced from PubChem (CID 58309516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).