1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol

C19H17N3O3 — CID 54045583

IUPAC1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol
SMILESCn1c(COc2cccc(-n3c(O)ccc3O)c2)nc2ccccc21
InChIInChI=1S/C19H17N3O3/c1-21-16-8-3-2-7-15(16)20-17(21)12-25-14-6-4-5-13(11-14)22-18(23)9-10-19(22)24/h2-11,23-24H,12H2,1H3
InChIKeyLPIRJFAFQSOOEM-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.35
Rot. Bonds4

About 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol

1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol (PubChem CID 54045583) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol
PubChem CID54045583
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol
SMILESCn1c(COc2cccc(-n3c(O)ccc3O)c2)nc2ccccc21
InChIInChI=1S/C19H17N3O3/c1-21-16-8-3-2-7-15(16)20-17(21)12-25-14-6-4-5-13(11-14)22-18(23)9-10-19(22)24/h2-11,23-24H,12H2,1H3
InChIKeyLPIRJFAFQSOOEM-UHFFFAOYSA-N
XLogP3.35
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(1-methylbenzimidazol-2-yl)-3-phenoxypropan-2-ol
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1-[2-(3-methylphenoxy)ethyl]-2-[(3-methylphenoxy)methyl]benzimidazole
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6-chloro-1-methyl-2-[(3-methylphenoxy)methyl]benzimidazole
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3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol
CID 10641616
1-(2-methoxyethyl)-2-[(3-methylphenoxy)methyl]benzimidazole
CID 16997947
3-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-sulfanylpropanamide
CID 141073954
1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole
CID 23648786
3-[2-[(4-iodophenoxy)methyl]benzimidazol-1-yl]aniline
CID 172640254

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol?
The IUPAC name of 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol (CID 54045583) is 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol?
The canonical SMILES for 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol is Cn1c(COc2cccc(-n3c(O)ccc3O)c2)nc2ccccc21.
What is the InChIKey of 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol?
The InChIKey is LPIRJFAFQSOOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-16-8-3-2-7-15(16)20-17(21)12-25-14-6-4-5-13(11-14)22-18(23)9-10-19(22)24/h2-11,23-24H,12H2,1H3.
What are the key properties of 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol?
1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol has a molecular weight of 335.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol is sourced from PubChem (CID 54045583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).