N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide

C25H18BrN3O3 — CID 17093131

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C25H18BrN3O3/c1-31-22-11-8-16(24-27-18-4-2-3-5-19(18)28-24)14-20(22)29-25(30)23-13-12-21(32-23)15-6-9-17(26)10-7-15/h2-14H,1H3,(H,27,28)(H,29,30)
InChIKeyXHWMWJDFVSACEH-UHFFFAOYSA-N
MW488.34 g/mol
LogP6.51
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide (PubChem CID 17093131) has the molecular formula C25H18BrN3O3 and a molecular weight of 488.34 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
PubChem CID17093131
Molecular FormulaC25H18BrN3O3
Molecular Weight488.34 g/mol
Exact Mass487.05
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C25H18BrN3O3/c1-31-22-11-8-16(24-27-18-4-2-3-5-19(18)28-24)14-20(22)29-25(30)23-13-12-21(32-23)15-6-9-17(26)10-7-15/h2-14H,1H3,(H,27,28)(H,29,30)
InChIKeyXHWMWJDFVSACEH-UHFFFAOYSA-N
XLogP6.51
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.34
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-(5-amino-2-methoxyphenyl)-5-(4-bromophenyl)furan-2-carboxamide
CID 91689986
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 166180424
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
CID 17093072
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
CID 100578035
N-[[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]carbamothioyl]-5-bromo-2-methoxybenzamide
CID 17114829
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
5-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)furan-2-carboxamide
CID 2275315
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 17092966
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17092952

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide (CID 17093131) is N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide is COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide?
The InChIKey is XHWMWJDFVSACEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrN3O3/c1-31-22-11-8-16(24-27-18-4-2-3-5-19(18)28-24)14-20(22)29-25(30)23-13-12-21(32-23)15-6-9-17(26)10-7-15/h2-14H,1H3,(H,27,28)(H,29,30).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide?
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide has a molecular weight of 488.34 g/mol, XLogP of 6.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-5-(4-bromophenyl)furan-2-carboxamide is sourced from PubChem (CID 17093131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).