1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole

C23H26N4O — CID 75397016

IUPAC1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2CCCCn2ccnc2C)cc1
InChIInChI=1S/C23H26N4O/c1-18-9-11-20(12-10-18)28-17-23-25-21-7-3-4-8-22(21)27(23)15-6-5-14-26-16-13-24-19(26)2/h3-4,7-13,16H,5-6,14-15,17H2,1-2H3
InChIKeyZVYPCTRXQKWKDB-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.91
Rot. Bonds8

About 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole

1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole (PubChem CID 75397016) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole
PubChem CID75397016
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole
SMILESCc1ccc(OCc2nc3ccccc3n2CCCCn2ccnc2C)cc1
InChIInChI=1S/C23H26N4O/c1-18-9-11-20(12-10-18)28-17-23-25-21-7-3-4-8-22(21)27(23)15-6-5-14-26-16-13-24-19(26)2/h3-4,7-13,16H,5-6,14-15,17H2,1-2H3
InChIKeyZVYPCTRXQKWKDB-UHFFFAOYSA-N
XLogP4.91
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]butan-1-amine
CID 94747495
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
2-[(4-tert-butylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 3848445
1-[3-(2-methylimidazol-1-yl)propyl]-2-(methylsulfonylmethyl)benzimidazole
CID 75439550
2-[(4-ethylphenoxy)methyl]-1-[3-(4-methylphenoxy)propyl]benzimidazole
CID 16998389
2-[(4-methylphenoxy)methyl]-1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazole
CID 16998239
2-(methoxymethyl)-1-[3-(4-methylphenoxy)propyl]benzimidazole;hydrochloride
CID 44654062
1-decyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998310
1-butyl-2-[(4-ethylphenoxy)methyl]benzimidazole
CID 16998302
2-benzyl-1-[4-(4-methylphenoxy)butyl]benzimidazole
CID 18879081
1-[4-(4-methylphenoxy)butyl]-2-(2-methylpropyl)benzimidazole
CID 18879040
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole (CID 75397016) is 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole is Cc1ccc(OCc2nc3ccccc3n2CCCCn2ccnc2C)cc1.
What is the InChIKey of 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
The InChIKey is ZVYPCTRXQKWKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18-9-11-20(12-10-18)28-17-23-25-21-7-3-4-8-22(21)27(23)15-6-5-14-26-16-13-24-19(26)2/h3-4,7-13,16H,5-6,14-15,17H2,1-2H3.
What are the key properties of 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole?
1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole has a molecular weight of 374.49 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 75397016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).