3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride

C23H23ClN2O4 — CID 19353933

IUPAC3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride
SMILESCOc1cc(-c2nc3ccc(O)cc3n2Cc2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C23H22N2O4.ClH/c1-27-20-11-16(12-21(28-2)22(20)29-3)23-24-18-10-9-17(26)13-19(18)25(23)14-15-7-5-4-6-8-15;/h4-13,26H,14H2,1-3H3;1H
InChIKeyIEZIQNSXEGFUCX-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.90
Rot. Bonds6

About 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride

3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride (PubChem CID 19353933) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride.

Molecular Properties

Compound Name3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride
PubChem CID19353933
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride
SMILESCOc1cc(-c2nc3ccc(O)cc3n2Cc2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C23H22N2O4.ClH/c1-27-20-11-16(12-21(28-2)22(20)29-3)23-24-18-10-9-17(26)13-19(18)25(23)14-15-7-5-4-6-8-15;/h4-13,26H,14H2,1-3H3;1H
InChIKeyIEZIQNSXEGFUCX-UHFFFAOYSA-N
XLogP4.90
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 20930588
1-benzyl-6-(2-pyrrolidin-1-ylethoxy)-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353930
1-[(2-iodophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 19353976
3-benzyl-2-(3,4-dimethoxyanilino)benzimidazol-5-ol
CID 22147021
3-[(4-tert-butylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
CID 15996903
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-benzyl-6-[2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 70258191
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
4-(1-ethylbenzimidazol-2-yl)-2,6-dimethoxyphenol
CID 135574032
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride?
The IUPAC name of 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride (CID 19353933) is 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride.
What is the SMILES notation for 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride?
The canonical SMILES for 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride is COc1cc(-c2nc3ccc(O)cc3n2Cc2ccccc2)cc(OC)c1OC.Cl.
What is the InChIKey of 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride?
The InChIKey is IEZIQNSXEGFUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4.ClH/c1-27-20-11-16(12-21(28-2)22(20)29-3)23-24-18-10-9-17(26)13-19(18)25(23)14-15-7-5-4-6-8-15;/h4-13,26H,14H2,1-3H3;1H.
What are the key properties of 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride?
3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride has a molecular weight of 426.90 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ol;hydrochloride is sourced from PubChem (CID 19353933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).