6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole

C31H28N4O2 — CID 59378105

IUPAC6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccccc3OCCCOc3ccccc3-c3nc4ccc(C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C31H28N4O2/c1-20-12-14-24-26(18-20)34-30(32-24)22-8-3-5-10-28(22)36-16-7-17-37-29-11-6-4-9-23(29)31-33-25-15-13-21(2)19-27(25)35-31/h3-6,8-15,18-19H,7,16-17H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyWDUFYSPWLSYKDS-UHFFFAOYSA-N
MW488.59 g/mol
LogP7.24
Rot. Bonds8

About 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole

6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole (PubChem CID 59378105) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
PubChem CID59378105
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC Name6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccccc3OCCCOc3ccccc3-c3nc4ccc(C)cc4[nH]3)[nH]c2c1
InChIInChI=1S/C31H28N4O2/c1-20-12-14-24-26(18-20)34-30(32-24)22-8-3-5-10-28(22)36-16-7-17-37-29-11-6-4-9-23(29)31-33-25-15-13-21(2)19-27(25)35-31/h3-6,8-15,18-19H,7,16-17H2,1-2H3,(H,32,34)(H,33,35)
InChIKeyWDUFYSPWLSYKDS-UHFFFAOYSA-N
XLogP7.24
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
2-[2-[3-(3,4-dichlorophenoxy)propoxy]phenyl]-3H-imidazo[4,5-c]pyridine
CID 19864797
1-[2-[2-(2-ethoxyethoxy)phenyl]-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 158016053
5,6-dimethyl-2-[2-(2-methylpropoxy)phenyl]-1H-benzimidazole
CID 110538872
2-(2-pentoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 45259699
2-[2-(2-ethoxyethoxy)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690155
4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
CID 67359622
2-[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224790
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
CID 91673788

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole (CID 59378105) is 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole is Cc1ccc2nc(-c3ccccc3OCCCOc3ccccc3-c3nc4ccc(C)cc4[nH]3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?
The InChIKey is WDUFYSPWLSYKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-20-12-14-24-26(18-20)34-30(32-24)22-8-3-5-10-28(22)36-16-7-17-37-29-11-6-4-9-23(29)31-33-25-15-13-21(2)19-27(25)35-31/h3-6,8-15,18-19H,7,16-17H2,1-2H3,(H,32,34)(H,33,35).
What are the key properties of 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole?
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole has a molecular weight of 488.59 g/mol, XLogP of 7.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 59378105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).