1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole

C36H30N4 — CID 18293360

IUPAC1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole
SMILESCN1CN(c2ccc3ccccc3c2-c2c(N3CN(C)c4ccccc43)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C36H30N4/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40/h3-22H,23-24H2,1-2H3
InChIKeyLGGWPMRJENJPGV-UHFFFAOYSA-N
MW518.66 g/mol
LogP8.75
Rot. Bonds3

About 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole

1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole (PubChem CID 18293360) has the molecular formula C36H30N4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole.

Molecular Properties

Compound Name1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole
PubChem CID18293360
Molecular FormulaC36H30N4
Molecular Weight518.66 g/mol
Exact Mass518.25
IUPAC Name1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole
SMILESCN1CN(c2ccc3ccccc3c2-c2c(N3CN(C)c4ccccc43)ccc3ccccc23)c2ccccc21
InChIInChI=1S/C36H30N4/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40/h3-22H,23-24H2,1-2H3
InChIKeyLGGWPMRJENJPGV-UHFFFAOYSA-N
XLogP8.75
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole?
The IUPAC name of 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole (CID 18293360) is 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole.
What is the SMILES notation for 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole?
The canonical SMILES for 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole is CN1CN(c2ccc3ccccc3c2-c2c(N3CN(C)c4ccccc43)ccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole?
The InChIKey is LGGWPMRJENJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N4/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40/h3-22H,23-24H2,1-2H3.
What are the key properties of 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole?
1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole has a molecular weight of 518.66 g/mol, XLogP of 8.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole is sourced from PubChem (CID 18293360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).