N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide

C28H18BrN3O2 — CID 170065144

IUPACN-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide
SMILESO=C(Nc1oc2ccccc2c1Br)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C28H18BrN3O2/c29-25-21-10-4-7-13-24(21)34-28(25)31-27(33)19-16-14-18(15-17-19)26-30-22-11-5-6-12-23(22)32(26)20-8-2-1-3-9-20/h1-17H,(H,31,33)
InChIKeyGDEYUMHMELHOKM-UHFFFAOYSA-N
MW508.38 g/mol
LogP7.45
Rot. Bonds4

About N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide

N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide (PubChem CID 170065144) has the molecular formula C28H18BrN3O2 and a molecular weight of 508.38 g/mol. Its IUPAC name is N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide
PubChem CID170065144
Molecular FormulaC28H18BrN3O2
Molecular Weight508.38 g/mol
Exact Mass507.06
IUPAC NameN-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide
SMILESO=C(Nc1oc2ccccc2c1Br)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1
InChIInChI=1S/C28H18BrN3O2/c29-25-21-10-4-7-13-24(21)34-28(25)31-27(33)19-16-14-18(15-17-19)26-30-22-11-5-6-12-23(22)32(26)20-8-2-1-3-9-20/h1-17H,(H,31,33)
InChIKeyGDEYUMHMELHOKM-UHFFFAOYSA-N
XLogP7.45
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.38
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
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
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
2-[3-[4-dibenzofuran-3-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 171812807

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide?
The IUPAC name of N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide (CID 170065144) is N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide?
The canonical SMILES for N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide is O=C(Nc1oc2ccccc2c1Br)c1ccc(-c2nc3ccccc3n2-c2ccccc2)cc1.
What is the InChIKey of N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide?
The InChIKey is GDEYUMHMELHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18BrN3O2/c29-25-21-10-4-7-13-24(21)34-28(25)31-27(33)19-16-14-18(15-17-19)26-30-22-11-5-6-12-23(22)32(26)20-8-2-1-3-9-20/h1-17H,(H,31,33).
What are the key properties of N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide?
N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide has a molecular weight of 508.38 g/mol, XLogP of 7.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-1-benzofuran-2-yl)-4-(1-phenylbenzimidazol-2-yl)benzamide is sourced from PubChem (CID 170065144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).