1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate

C16H14N2O3 — CID 54117678

IUPAC1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(OCc1nc2ccccc2[nH]1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(11-6-2-1-3-7-11)16(20)21-10-14-17-12-8-4-5-9-13(12)18-14/h1-9,15,19H,10H2,(H,17,18)/t15-/m1/s1
InChIKeyNLMGPIIMQJZXBL-OAHLLOKOSA-N
MW282.30 g/mol
LogP2.34
Rot. Bonds4

About 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate

1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate (PubChem CID 54117678) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate
PubChem CID54117678
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate
SMILESO=C(OCc1nc2ccccc2[nH]1)[C@H](O)c1ccccc1
InChIInChI=1S/C16H14N2O3/c19-15(11-6-2-1-3-7-11)16(20)21-10-14-17-12-8-4-5-9-13(12)18-14/h1-9,15,19H,10H2,(H,17,18)/t15-/m1/s1
InChIKeyNLMGPIIMQJZXBL-OAHLLOKOSA-N
XLogP2.34
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-2-phenylacetate
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2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
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2-(1H-benzimidazol-2-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate?
The IUPAC name of 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate (CID 54117678) is 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate?
The canonical SMILES for 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate is O=C(OCc1nc2ccccc2[nH]1)[C@H](O)c1ccccc1.
What is the InChIKey of 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate?
The InChIKey is NLMGPIIMQJZXBL-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-15(11-6-2-1-3-7-11)16(20)21-10-14-17-12-8-4-5-9-13(12)18-14/h1-9,15,19H,10H2,(H,17,18)/t15-/m1/s1.
What are the key properties of 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate?
1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate has a molecular weight of 282.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethyl (2R)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 54117678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).