prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate

C18H16N2O2 — CID 3260820

IUPACprop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate
SMILESC=CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H16N2O2/c1-2-12-22-17(21)13-20-16-11-7-6-10-15(16)19-18(20)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyPQCPBVKILBYCBY-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.43
Rot. Bonds5

About prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate

prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate (PubChem CID 3260820) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate
PubChem CID3260820
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Nameprop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate
SMILESC=CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C18H16N2O2/c1-2-12-22-17(21)13-20-16-11-7-6-10-15(16)19-18(20)14-8-4-3-5-9-14/h2-11H,1,12-13H2
InChIKeyPQCPBVKILBYCBY-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate?
The IUPAC name of prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate (CID 3260820) is prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate.
What is the SMILES notation for prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate?
The canonical SMILES for prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate is C=CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate?
The InChIKey is PQCPBVKILBYCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-12-22-17(21)13-20-16-11-7-6-10-15(16)19-18(20)14-8-4-3-5-9-14/h2-11H,1,12-13H2.
What are the key properties of prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate?
prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate has a molecular weight of 292.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-phenylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 3260820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).