1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole

C29H23N3O3 — CID 71480756

IUPAC1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole
SMILESCOc1cc(-n2c(-c3cccnc3)nc3cc(OC)c4ccccc4c32)c(OC)c2ccccc12
InChIInChI=1S/C29H23N3O3/c1-33-25-15-23-27(21-12-6-4-10-19(21)25)32(29(31-23)18-9-8-14-30-17-18)24-16-26(34-2)20-11-5-7-13-22(20)28(24)35-3/h4-17H,1-3H3
InChIKeyHSUGNUSLYHROCT-UHFFFAOYSA-N
MW461.52 g/mol
LogP6.42
Rot. Bonds5

About 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole

1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole (PubChem CID 71480756) has the molecular formula C29H23N3O3 and a molecular weight of 461.52 g/mol. Its IUPAC name is 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole.

Molecular Properties

Compound Name1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole
PubChem CID71480756
Molecular FormulaC29H23N3O3
Molecular Weight461.52 g/mol
Exact Mass461.17
IUPAC Name1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole
SMILESCOc1cc(-n2c(-c3cccnc3)nc3cc(OC)c4ccccc4c32)c(OC)c2ccccc12
InChIInChI=1S/C29H23N3O3/c1-33-25-15-23-27(21-12-6-4-10-19(21)25)32(29(31-23)18-9-8-14-30-17-18)24-16-26(34-2)20-11-5-7-13-22(20)28(24)35-3/h4-17H,1-3H3
InChIKeyHSUGNUSLYHROCT-UHFFFAOYSA-N
XLogP6.42
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole?
The IUPAC name of 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole (CID 71480756) is 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole.
What is the SMILES notation for 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole?
The canonical SMILES for 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole is COc1cc(-n2c(-c3cccnc3)nc3cc(OC)c4ccccc4c32)c(OC)c2ccccc12.
What is the InChIKey of 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole?
The InChIKey is HSUGNUSLYHROCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O3/c1-33-25-15-23-27(21-12-6-4-10-19(21)25)32(29(31-23)18-9-8-14-30-17-18)24-16-26(34-2)20-11-5-7-13-22(20)28(24)35-3/h4-17H,1-3H3.
What are the key properties of 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole?
1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole has a molecular weight of 461.52 g/mol, XLogP of 6.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethoxynaphthalen-2-yl)-5-methoxy-2-pyridin-3-ylbenzo[e]benzimidazole is sourced from PubChem (CID 71480756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).