2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide

C17H17N3O2 — CID 47012390

IUPAC2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
SMILESCn1c(CNC(=O)C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H17N3O2/c1-20-14-10-6-5-9-13(14)19-15(20)11-18-17(22)16(21)12-7-3-2-4-8-12/h2-10,16,21H,11H2,1H3,(H,18,22)
InChIKeyTVHOKQRHLOYTRK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.92
Rot. Bonds4

About 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide

2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide (PubChem CID 47012390) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
PubChem CID47012390
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
SMILESCn1c(CNC(=O)C(O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C17H17N3O2/c1-20-14-10-6-5-9-13(14)19-15(20)11-18-17(22)16(21)12-7-3-2-4-8-12/h2-10,16,21H,11H2,1H3,(H,18,22)
InChIKeyTVHOKQRHLOYTRK-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455
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CID 62997725
1-benzyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrole-2-carboxamide
CID 134022967
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
(2S)-N-benzyl-2-[methyl-[(1-methylbenzimidazol-2-yl)methyl]amino]propanamide
CID 97064350
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
(3R)-3-[(1-methylbenzimidazol-2-yl)methylamino]-3-phenylpropan-1-ol
CID 111449974
N-[(1-methylbenzimidazol-2-yl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 134012185
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
The IUPAC name of 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide (CID 47012390) is 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide is Cn1c(CNC(=O)C(O)c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
The InChIKey is TVHOKQRHLOYTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20-14-10-6-5-9-13(14)19-15(20)11-18-17(22)16(21)12-7-3-2-4-8-12/h2-10,16,21H,11H2,1H3,(H,18,22).
What are the key properties of 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide?
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide has a molecular weight of 295.34 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide is sourced from PubChem (CID 47012390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).