[2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate

C16H14N2O2 — CID 174822074

IUPAC[2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate
SMILESO=COCC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-11-20-9-14(12-4-2-1-3-5-12)13-6-7-15-16(8-13)18-10-17-15/h1-8,10-11,14H,9H2,(H,17,18)
InChIKeyMVTVRBDGAMGSHD-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.87
Rot. Bonds5

About [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate

[2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate (PubChem CID 174822074) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate.

Molecular Properties

Compound Name[2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate
PubChem CID174822074
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name[2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate
SMILESO=COCC(c1ccccc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H14N2O2/c19-11-20-9-14(12-4-2-1-3-5-12)13-6-7-15-16(8-13)18-10-17-15/h1-8,10-11,14H,9H2,(H,17,18)
InChIKeyMVTVRBDGAMGSHD-UHFFFAOYSA-N
XLogP2.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3H-benzimidazol-5-yl)-3-pyrimidin-2-ylpropanoic acid
CID 116834074
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
2-(3H-benzimidazol-5-yl)-2-(methylamino)acetaldehyde
CID 116954226
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
6-pentan-3-yl-1H-benzimidazole
CID 134401277
N-[3H-benzimidazol-5-yl(phenyl)methyl]-4-phenylbutanamide
CID 78876519
2-(3H-benzimidazol-5-yl)-2-chloroacetic acid
CID 83533661
3-(3H-benzimidazol-5-yl)-3-(1H-pyrrol-3-yl)propanoic acid
CID 116834105
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 86916761
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 42883479
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798

Frequently Asked Questions

What is the IUPAC name of [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate?
The IUPAC name of [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate (CID 174822074) is [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate.
What is the SMILES notation for [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate?
The canonical SMILES for [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate is O=COCC(c1ccccc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate?
The InChIKey is MVTVRBDGAMGSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-11-20-9-14(12-4-2-1-3-5-12)13-6-7-15-16(8-13)18-10-17-15/h1-8,10-11,14H,9H2,(H,17,18).
What are the key properties of [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate?
[2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate has a molecular weight of 266.30 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-benzimidazol-5-yl)-2-phenylethyl] formate is sourced from PubChem (CID 174822074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).