[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone

C16H14N2O2 — CID 66263156

IUPAC[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
SMILESC[C@H](O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H14N2O2/c1-10(19)16-17-13-8-7-12(9-14(13)18-16)15(20)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyDUJRPTXEZOBIKD-JTQLQIEISA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

About [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone

[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 66263156) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID66263156
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone
SMILESC[C@H](O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H14N2O2/c1-10(19)16-17-13-8-7-12(9-14(13)18-16)15(20)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyDUJRPTXEZOBIKD-JTQLQIEISA-N
XLogP2.85
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone (CID 66263156) is [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone is C[C@H](O)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1.
What is the InChIKey of [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is DUJRPTXEZOBIKD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10(19)16-17-13-8-7-12(9-14(13)18-16)15(20)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone?
[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 66263156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).