(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide

C15H13N3O — CID 69341417

IUPAC(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O/c16-14(19)13(10-6-2-1-3-7-10)15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,(H2,16,19)(H,17,18)/t13-/m1/s1
InChIKeyJTZSFTRKGKUUAQ-CYBMUJFWSA-N
MW251.29 g/mol
LogP2.18
Rot. Bonds3

About (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide

(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide (PubChem CID 69341417) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
PubChem CID69341417
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H13N3O/c16-14(19)13(10-6-2-1-3-7-10)15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,(H2,16,19)(H,17,18)/t13-/m1/s1
InChIKeyJTZSFTRKGKUUAQ-CYBMUJFWSA-N
XLogP2.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanamide
CID 132781902
3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 2828965
(2R,3S)-3-(1H-benzimidazol-2-yl)-2,3-dihydroxypropanoic acid
CID 785137
2-(1H-benzimidazol-2-yl)-2-methoxyacetamide
CID 118108500
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-(1H-benzimidazol-2-yl)-3-oxo-3-sulfanylpropanoic acid
CID 57069961
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
[(1S,2S)-1,2-bis(1H-benzimidazol-2-yl)-2-benzoyloxyethyl] benzoate
CID 126341294
(2S,3S)-3-(1H-benzimidazol-2-yl)-1,1,1-trichloro-3-phenylpropan-2-ol
CID 1278594
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
1,3-bis(1H-benzimidazol-2-yl)propane-1,2,3-triol
CID 2772761
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide (CID 69341417) is (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide?
The InChIKey is JTZSFTRKGKUUAQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13N3O/c16-14(19)13(10-6-2-1-3-7-10)15-17-11-8-4-5-9-12(11)18-15/h1-9,13H,(H2,16,19)(H,17,18)/t13-/m1/s1.
What are the key properties of (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide?
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide has a molecular weight of 251.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 69341417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).