(2-phenyl-3H-benzimidazol-5-yl) acetate

C15H12N2O2 — CID 57208111

IUPAC(2-phenyl-3H-benzimidazol-5-yl) acetate
SMILESCC(=O)Oc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12N2O2/c1-10(18)19-12-7-8-13-14(9-12)17-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyVPVKNJWOXKCEOM-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.16
Rot. Bonds2

About (2-phenyl-3H-benzimidazol-5-yl) acetate

(2-phenyl-3H-benzimidazol-5-yl) acetate (PubChem CID 57208111) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2-phenyl-3H-benzimidazol-5-yl) acetate.

Molecular Properties

Compound Name(2-phenyl-3H-benzimidazol-5-yl) acetate
PubChem CID57208111
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(2-phenyl-3H-benzimidazol-5-yl) acetate
SMILESCC(=O)Oc1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12N2O2/c1-10(18)19-12-7-8-13-14(9-12)17-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17)
InChIKeyVPVKNJWOXKCEOM-UHFFFAOYSA-N
XLogP3.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
(E)-3-(2-phenyl-3H-benzimidazol-5-yl)prop-2-enoic acid
CID 82501426
N,N-dihydroxy-2-phenyl-3H-benzimidazol-5-amine
CID 123138623
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3H-benzimidazol-5-yl) acetate?
The IUPAC name of (2-phenyl-3H-benzimidazol-5-yl) acetate (CID 57208111) is (2-phenyl-3H-benzimidazol-5-yl) acetate.
What is the SMILES notation for (2-phenyl-3H-benzimidazol-5-yl) acetate?
The canonical SMILES for (2-phenyl-3H-benzimidazol-5-yl) acetate is CC(=O)Oc1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of (2-phenyl-3H-benzimidazol-5-yl) acetate?
The InChIKey is VPVKNJWOXKCEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10(18)19-12-7-8-13-14(9-12)17-15(16-13)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,17).
What are the key properties of (2-phenyl-3H-benzimidazol-5-yl) acetate?
(2-phenyl-3H-benzimidazol-5-yl) acetate has a molecular weight of 252.27 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3H-benzimidazol-5-yl) acetate is sourced from PubChem (CID 57208111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).