4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole

C22H18N2O — CID 68747240

IUPAC4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole
SMILESC=CCc1nc2c(-c3ccccc3Oc3ccccc3)cccc2[nH]1
InChIInChI=1S/C22H18N2O/c1-2-9-21-23-19-14-8-13-18(22(19)24-21)17-12-6-7-15-20(17)25-16-10-4-3-5-11-16/h2-8,10-15H,1,9H2,(H,23,24)
InChIKeySWPCFYYIUUKIGP-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.75
Rot. Bonds5

About 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole

4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole (PubChem CID 68747240) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole.

Molecular Properties

Compound Name4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole
PubChem CID68747240
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole
SMILESC=CCc1nc2c(-c3ccccc3Oc3ccccc3)cccc2[nH]1
InChIInChI=1S/C22H18N2O/c1-2-9-21-23-19-14-8-13-18(22(19)24-21)17-12-6-7-15-20(17)25-16-10-4-3-5-11-16/h2-8,10-15H,1,9H2,(H,23,24)
InChIKeySWPCFYYIUUKIGP-UHFFFAOYSA-N
XLogP5.75
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole?
The IUPAC name of 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole (CID 68747240) is 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole.
What is the SMILES notation for 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole?
The canonical SMILES for 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole is C=CCc1nc2c(-c3ccccc3Oc3ccccc3)cccc2[nH]1.
What is the InChIKey of 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole?
The InChIKey is SWPCFYYIUUKIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c1-2-9-21-23-19-14-8-13-18(22(19)24-21)17-12-6-7-15-20(17)25-16-10-4-3-5-11-16/h2-8,10-15H,1,9H2,(H,23,24).
What are the key properties of 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole?
4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole has a molecular weight of 326.40 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyphenyl)-2-prop-2-enyl-1H-benzimidazole is sourced from PubChem (CID 68747240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).