2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole

C24H24N2O — CID 168554882

IUPAC2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
SMILESCCCCOc1ccc(-c2ccc(C)cc2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H24N2O/c1-3-4-15-27-23-14-13-19(18-11-9-17(2)10-12-18)16-20(23)24-25-21-7-5-6-8-22(21)26-24/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyFOSAOCBNSVDTDI-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.38
Rot. Bonds6

About 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole

2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole (PubChem CID 168554882) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
PubChem CID168554882
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
SMILESCCCCOc1ccc(-c2ccc(C)cc2)cc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C24H24N2O/c1-3-4-15-27-23-14-13-19(18-11-9-17(2)10-12-18)16-20(23)24-25-21-7-5-6-8-22(21)26-24/h5-14,16H,3-4,15H2,1-2H3,(H,25,26)
InChIKeyFOSAOCBNSVDTDI-UHFFFAOYSA-N
XLogP6.38
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 ≤ 56.38
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-[4-(4-dodecoxyphenyl)-2-fluorophenyl]-1H-benzimidazole
CID 177460870
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
2-[2,5-bis(2-ethylhexoxy)phenyl]-1H-benzimidazole
CID 22420496
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
ethyl 4-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]butanoate
CID 168554935
2-[5-chloro-2-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 3329340
2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
CID 168553695
ethyl 3-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]propanoate
CID 168554937

Frequently Asked Questions

What is the IUPAC name of 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole (CID 168554882) is 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole is CCCCOc1ccc(-c2ccc(C)cc2)cc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole?
The InChIKey is FOSAOCBNSVDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-3-4-15-27-23-14-13-19(18-11-9-17(2)10-12-18)16-20(23)24-25-21-7-5-6-8-22(21)26-24/h5-14,16H,3-4,15H2,1-2H3,(H,25,26).
What are the key properties of 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole?
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole has a molecular weight of 356.47 g/mol, XLogP of 6.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).