1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole

C20H20N4O — CID 11198357

IUPAC1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole
SMILESCCCOCc1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C20H20N4O/c1-2-10-25-13-16-6-7-20-19(11-16)22-15-24(20)18-5-3-4-17(12-18)23-9-8-21-14-23/h3-9,11-12,14-15H,2,10,13H2,1H3
InChIKeyLAOWVSCTWMHBOY-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.14
Rot. Bonds6

About 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole

1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole (PubChem CID 11198357) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole
PubChem CID11198357
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole
SMILESCCCOCc1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C20H20N4O/c1-2-10-25-13-16-6-7-20-19(11-16)22-15-24(20)18-5-3-4-17(12-18)23-9-8-21-14-23/h3-9,11-12,14-15H,2,10,13H2,1H3
InChIKeyLAOWVSCTWMHBOY-UHFFFAOYSA-N
XLogP4.14
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.14
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole?
The IUPAC name of 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole (CID 11198357) is 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole.
What is the SMILES notation for 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole?
The canonical SMILES for 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole is CCCOCc1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole?
The InChIKey is LAOWVSCTWMHBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-10-25-13-16-6-7-20-19(11-16)22-15-24(20)18-5-3-4-17(12-18)23-9-8-21-14-23/h3-9,11-12,14-15H,2,10,13H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole?
1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole has a molecular weight of 332.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole is sourced from PubChem (CID 11198357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).