1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole

C19H20N2O — CID 18334686

IUPAC1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole
SMILESC=CCCn1c(COCc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H20N2O/c1-2-3-13-21-18-12-8-7-11-17(18)20-19(21)15-22-14-16-9-5-4-6-10-16/h2,4-12H,1,3,13-15H2
InChIKeyFHYYEQSNNXJJNM-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.33
Rot. Bonds7

About 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole

1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole (PubChem CID 18334686) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole.

Molecular Properties

Compound Name1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole
PubChem CID18334686
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole
SMILESC=CCCn1c(COCc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H20N2O/c1-2-3-13-21-18-12-8-7-11-17(18)20-19(21)15-22-14-16-9-5-4-6-10-16/h2,4-12H,1,3,13-15H2
InChIKeyFHYYEQSNNXJJNM-UHFFFAOYSA-N
XLogP4.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-2-[(1-propylbenzimidazol-2-yl)methoxymethyl]benzimidazole
CID 11302951
2-ethyl-1-(4-phenylmethoxybutyl)benzimidazole
CID 122190742
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
5-isocyano-1-(3-methylbutyl)-2-(phenylmethoxymethyl)benzimidazole
CID 23551401
2-(2-phenylethyl)-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16999473
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
1-but-3-enyl-2-(4-tert-butylphenyl)benzimidazole
CID 84571658
2-(2-phenylethyl)-1-propylbenzimidazole
CID 969694
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
1-[4-[2-(phenylmethoxymethyl)benzimidazol-1-yl]phenyl]ethanone
CID 118366528

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole?
The IUPAC name of 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole (CID 18334686) is 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole.
What is the SMILES notation for 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole?
The canonical SMILES for 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole is C=CCCn1c(COCc2ccccc2)nc2ccccc21.
What is the InChIKey of 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole?
The InChIKey is FHYYEQSNNXJJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-2-3-13-21-18-12-8-7-11-17(18)20-19(21)15-22-14-16-9-5-4-6-10-16/h2,4-12H,1,3,13-15H2.
What are the key properties of 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole?
1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole has a molecular weight of 292.38 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-(phenylmethoxymethyl)benzimidazole is sourced from PubChem (CID 18334686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).