5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole

C24H24N2O — CID 110535345

IUPAC5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(OCCCc4ccccc4)cc3)[nH]c2cc1C
InChIInChI=1S/C24H24N2O/c1-17-15-22-23(16-18(17)2)26-24(25-22)20-10-12-21(13-11-20)27-14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,25,26)
InChIKeyRADLPZOGMJPHML-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.86
Rot. Bonds6

About 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole

5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole (PubChem CID 110535345) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
PubChem CID110535345
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole
SMILESCc1cc2nc(-c3ccc(OCCCc4ccccc4)cc3)[nH]c2cc1C
InChIInChI=1S/C24H24N2O/c1-17-15-22-23(16-18(17)2)26-24(25-22)20-10-12-21(13-11-20)27-14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,25,26)
InChIKeyRADLPZOGMJPHML-UHFFFAOYSA-N
XLogP5.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
5,6-dimethyl-2-[3-(2-phenylethylsulfanyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 135804609
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
tetrakis(5,6-dimethyl-2-(2-phenylethyl)-1H-benzimidazole);dihydrate
CID 139062819

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole (CID 110535345) is 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole is Cc1cc2nc(-c3ccc(OCCCc4ccccc4)cc3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole?
The InChIKey is RADLPZOGMJPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-17-15-22-23(16-18(17)2)26-24(25-22)20-10-12-21(13-11-20)27-14-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,15-16H,6,9,14H2,1-2H3,(H,25,26).
What are the key properties of 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole?
5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole has a molecular weight of 356.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[4-(3-phenylpropoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 110535345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).