4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde

C32H24F2N4O6 — CID 143384104

IUPAC4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(F)cc1OCc1nc2ccc(COc3cc(C=O)c(F)cc3OCc3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C32H24F2N4O6/c1-41-27-9-19(13-39)21(33)11-29(27)43-17-32-37-25-7-6-18(8-26(25)38-32)15-42-28-10-20(14-40)22(34)12-30(28)44-16-31-35-23-4-2-3-5-24(23)36-31/h2-14H,15-17H2,1H3,(H,35,36)(H,37,38)
InChIKeyFANBHSKARVNZPT-UHFFFAOYSA-N
MW598.56 g/mol
LogP6.09
Rot. Bonds12

About 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde

4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde (PubChem CID 143384104) has the molecular formula C32H24F2N4O6 and a molecular weight of 598.56 g/mol. Its IUPAC name is 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde
PubChem CID143384104
Molecular FormulaC32H24F2N4O6
Molecular Weight598.56 g/mol
Exact Mass598.17
IUPAC Name4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde
SMILESCOc1cc(C=O)c(F)cc1OCc1nc2ccc(COc3cc(C=O)c(F)cc3OCc3nc4ccccc4[nH]3)cc2[nH]1
InChIInChI=1S/C32H24F2N4O6/c1-41-27-9-19(13-39)21(33)11-29(27)43-17-32-37-25-7-6-18(8-26(25)38-32)15-42-28-10-20(14-40)22(34)12-30(28)44-16-31-35-23-4-2-3-5-24(23)36-31/h2-14H,15-17H2,1H3,(H,35,36)(H,37,38)
InChIKeyFANBHSKARVNZPT-UHFFFAOYSA-N
XLogP6.09
TPSA128.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.56
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde with MolForge

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Related Compounds

6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
CID 71296316
N-(1H-benzimidazol-2-ylmethyl)-1-[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66537187
2-[(4-ethyl-2-fluorophenoxy)methyl]-1H-benzimidazole
CID 143712602
4-[(4-chloro-2-fluorophenyl)methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 58086251
[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 58087587
3-[[4-(1H-benzimidazol-2-ylmethoxy)-2-fluoro-5-methoxyphenyl]methyl]-5-chloro-1H-pyrrolo[2,3-b]pyridine
CID 58087218
2-(1H-benzimidazol-2-yl)-N-[[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 66526848
N-(1H-benzimidazol-2-ylmethyl)-1-[2-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66538754
2-fluoro-4-methoxy-5-propoxybenzaldehyde
CID 22145775
2-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxybenzaldehyde
CID 883669
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
CID 46264639

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde?
The IUPAC name of 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde (CID 143384104) is 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde.
What is the SMILES notation for 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde?
The canonical SMILES for 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde is COc1cc(C=O)c(F)cc1OCc1nc2ccc(COc3cc(C=O)c(F)cc3OCc3nc4ccccc4[nH]3)cc2[nH]1.
What is the InChIKey of 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde?
The InChIKey is FANBHSKARVNZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F2N4O6/c1-41-27-9-19(13-39)21(33)11-29(27)43-17-32-37-25-7-6-18(8-26(25)38-32)15-42-28-10-20(14-40)22(34)12-30(28)44-16-31-35-23-4-2-3-5-24(23)36-31/h2-14H,15-17H2,1H3,(H,35,36)(H,37,38).
What are the key properties of 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde?
4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde has a molecular weight of 598.56 g/mol, XLogP of 6.09, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde is sourced from PubChem (CID 143384104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).