6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol

C20H18N2O3 — CID 73352616

IUPAC6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol
SMILESCOc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1
InChIInChI=1S/C20H18N2O3/c1-22-11-21-20-16(22)8-13-9-18(25-3)17(23)10-15(13)19(20)12-4-6-14(24-2)7-5-12/h4-11,23H,1-3H3
InChIKeyCKPNFEDSKIITEK-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.12
Rot. Bonds3

About 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol

6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol (PubChem CID 73352616) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol.

Molecular Properties

Compound Name6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol
PubChem CID73352616
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol
SMILESCOc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1
InChIInChI=1S/C20H18N2O3/c1-22-11-21-20-16(22)8-13-9-18(25-3)17(23)10-15(13)19(20)12-4-6-14(24-2)7-5-12/h4-11,23H,1-3H3
InChIKeyCKPNFEDSKIITEK-UHFFFAOYSA-N
XLogP4.12
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol?
The IUPAC name of 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol (CID 73352616) is 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol.
What is the SMILES notation for 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol?
The canonical SMILES for 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol is COc1ccc(-c2c3cc(O)c(OC)cc3cc3c2ncn3C)cc1.
What is the InChIKey of 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol?
The InChIKey is CKPNFEDSKIITEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-22-11-21-20-16(22)8-13-9-18(25-3)17(23)10-15(13)19(20)12-4-6-14(24-2)7-5-12/h4-11,23H,1-3H3.
What are the key properties of 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol?
6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol has a molecular weight of 334.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-9-(4-methoxyphenyl)-3-methylbenzo[f]benzimidazol-7-ol is sourced from PubChem (CID 73352616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).