2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol

C23H22N2O5 — CID 166627514

IUPAC2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol
SMILESCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1O
InChIInChI=1S/C23H22N2O5/c1-27-20-8-6-15(10-19(20)26)14-5-7-17-18(9-14)25(13-24-17)16-11-21(28-2)23(30-4)22(12-16)29-3/h5-13,26H,1-4H3
InChIKeyDZSBSJOFTCFGSQ-UHFFFAOYSA-N
MW406.44 g/mol
LogP4.43
Rot. Bonds6

About 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol

2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol (PubChem CID 166627514) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol
PubChem CID166627514
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol
SMILESCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1O
InChIInChI=1S/C23H22N2O5/c1-27-20-8-6-15(10-19(20)26)14-5-7-17-18(9-14)25(13-24-17)16-11-21(28-2)23(30-4)22(12-16)29-3/h5-13,26H,1-4H3
InChIKeyDZSBSJOFTCFGSQ-UHFFFAOYSA-N
XLogP4.43
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
The IUPAC name of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol (CID 166627514) is 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
The canonical SMILES for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol is COc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1O.
What is the InChIKey of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
The InChIKey is DZSBSJOFTCFGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c1-27-20-8-6-15(10-19(20)26)14-5-7-17-18(9-14)25(13-24-17)16-11-21(28-2)23(30-4)22(12-16)29-3/h5-13,26H,1-4H3.
What are the key properties of 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol?
2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol has a molecular weight of 406.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)benzimidazol-5-yl]phenol is sourced from PubChem (CID 166627514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).