2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole

C29H18N2O — CID 139220492

IUPAC2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole
SMILESC(#Cc1c(-c2ccccc2)oc2ccc(-c3nc4ccccc4[nH]3)cc12)c1ccccc1
InChIInChI=1S/C29H18N2O/c1-3-9-20(10-4-1)15-17-23-24-19-22(29-30-25-13-7-8-14-26(25)31-29)16-18-27(24)32-28(23)21-11-5-2-6-12-21/h1-14,16,18-19H,(H,30,31)
InChIKeyGUELEGMWULZIDI-UHFFFAOYSA-N
MW410.48 g/mol
LogP7.04
Rot. Bonds2

About 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole

2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole (PubChem CID 139220492) has the molecular formula C29H18N2O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole
PubChem CID139220492
Molecular FormulaC29H18N2O
Molecular Weight410.48 g/mol
Exact Mass410.14
IUPAC Name2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole
SMILESC(#Cc1c(-c2ccccc2)oc2ccc(-c3nc4ccccc4[nH]3)cc12)c1ccccc1
InChIInChI=1S/C29H18N2O/c1-3-9-20(10-4-1)15-17-23-24-19-22(29-30-25-13-7-8-14-26(25)31-29)16-18-27(24)32-28(23)21-11-5-2-6-12-21/h1-14,16,18-19H,(H,30,31)
InChIKeyGUELEGMWULZIDI-UHFFFAOYSA-N
XLogP7.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-{4-[amino(Imino)methyl]phenyl}-2-Furyl)-1h-Benzimidazole-5-Carboximidamide
CID 459929
N-(1H-benzimidazol-2-yl)-1-benzofuran-2-carboxamide
CID 2583514
4-[4-[8-[2-(4-hydroxyphenyl)-4-phenyl-1H-imidazol-5-yl]dibenzofuran-2-yl]-5-phenyl-1H-imidazol-2-yl]phenol
CID 135403990
Fgi-103
CID 5477931
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666
2-[4-(4-Carbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9947651
2-[4-(3,4-Dimethyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10108984
2-[4-(Naphthalen-2-yloxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10293093
2-(4-phenoxyphenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11236100
N-(3,4-dimethylphenyl)-2-(4-methoxy-2,6-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965566
2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]furan-2-yl]-1H-benzimidazole
CID 3007934
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108446

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole?
The IUPAC name of 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole (CID 139220492) is 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole is C(#Cc1c(-c2ccccc2)oc2ccc(-c3nc4ccccc4[nH]3)cc12)c1ccccc1.
What is the InChIKey of 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole?
The InChIKey is GUELEGMWULZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N2O/c1-3-9-20(10-4-1)15-17-23-24-19-22(29-30-25-13-7-8-14-26(25)31-29)16-18-27(24)32-28(23)21-11-5-2-6-12-21/h1-14,16,18-19H,(H,30,31).
What are the key properties of 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole?
2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole has a molecular weight of 410.48 g/mol, XLogP of 7.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-3-(2-phenylethynyl)-1-benzofuran-5-yl]-1H-benzimidazole is sourced from PubChem (CID 139220492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).