6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

C42H30Cl2N10O4 — CID 155558570

IUPAC6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(Cl)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1
InChIInChI=1S/C42H30Cl2N10O4/c43-27-5-13-35-37(17-27)47-41(45-35)39-15-11-33(57-39)21-53-19-29(49-51-53)23-55-31-7-1-25(2-8-31)26-3-9-32(10-4-26)56-24-30-20-54(52-50-30)22-34-12-16-40(58-34)42-46-36-14-6-28(44)18-38(36)48-42/h1-20H,21-24H2,(H,45,47)(H,46,48)
InChIKeySKUWUDIJBBSTMQ-UHFFFAOYSA-N
MW809.67 g/mol
LogP9.37
Rot. Bonds13

About 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole

6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (PubChem CID 155558570) has the molecular formula C42H30Cl2N10O4 and a molecular weight of 809.67 g/mol. Its IUPAC name is 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
PubChem CID155558570
Molecular FormulaC42H30Cl2N10O4
Molecular Weight809.67 g/mol
Exact Mass808.18
IUPAC Name6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(Cl)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1
InChIInChI=1S/C42H30Cl2N10O4/c43-27-5-13-35-37(17-27)47-41(45-35)39-15-11-33(57-39)21-53-19-29(49-51-53)23-55-31-7-1-25(2-8-31)26-3-9-32(10-4-26)56-24-30-20-54(52-50-30)22-34-12-16-40(58-34)42-46-36-14-6-28(44)18-38(36)48-42/h1-20H,21-24H2,(H,45,47)(H,46,48)
InChIKeySKUWUDIJBBSTMQ-UHFFFAOYSA-N
XLogP9.37
TPSA163.52 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.67
LogP ≤ 59.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole with MolForge

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Related Compounds

6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
N'-propan-2-yl-2-[5-[[4-[3-[1-[[5-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-3H-benzimidazole-5-carboximidamide
CID 155564769
4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine
CID 162647708
2-[5-(4-chlorophenyl)furan-2-yl]-6-methoxy-1H-benzimidazole
CID 132591742
1-[1-[2-[[2-[4-[6-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]triazol-4-yl]-N,N-dimethylmethanamine
CID 138649250
6-chloro-2-[5-(4-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674039
2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]acetic acid
CID 45408654
4-[[2-[5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-yl]-3H-benzimidazol-5-yl]methyl]morpholine
CID 71051988
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
6-chloro-2-[5-(3-nitrophenyl)furan-2-yl]-1H-benzimidazole
CID 91674034
2-[5-[[5-chloro-2-(2-methylpropoxy)phenyl]methyl]furan-2-yl]-6-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 69242772
2-[5-[(2-butoxy-5-chlorophenyl)methyl]furan-2-yl]-3H-benzimidazole-5-carbaldehyde
CID 89227089

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole (CID 155558570) is 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is Clc1ccc2nc(-c3ccc(Cn4cc(COc5ccc(-c6ccc(OCc7cn(Cc8ccc(-c9nc%10ccc(Cl)cc%10[nH]9)o8)nn7)cc6)cc5)nn4)o3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
The InChIKey is SKUWUDIJBBSTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30Cl2N10O4/c43-27-5-13-35-37(17-27)47-41(45-35)39-15-11-33(57-39)21-53-19-29(49-51-53)23-55-31-7-1-25(2-8-31)26-3-9-32(10-4-26)56-24-30-20-54(52-50-30)22-34-12-16-40(58-34)42-46-36-14-6-28(44)18-38(36)48-42/h1-20H,21-24H2,(H,45,47)(H,46,48).
What are the key properties of 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole?
6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole has a molecular weight of 809.67 g/mol, XLogP of 9.37, 13 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole is sourced from PubChem (CID 155558570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).