N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide

C19H21N3O2 — CID 25486343

IUPACN-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-13(20-14(2)23)19-21-16-10-6-7-11-17(16)22(19)12-18(24)15-8-4-3-5-9-15/h3-11,13,18,24H,12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
InChIKeyNJGDSKBLWHXCFO-SCLBCKFNSA-N
MW323.40 g/mol
LogP2.97
Rot. Bonds5

About N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide

N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 25486343) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID25486343
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-13(20-14(2)23)19-21-16-10-6-7-11-17(16)22(19)12-18(24)15-8-4-3-5-9-15/h3-11,13,18,24H,12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1
InChIKeyNJGDSKBLWHXCFO-SCLBCKFNSA-N
XLogP2.97
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[1-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]ethyl]acetamide
CID 52515056
N-[(1R)-1-(1-pentylbenzimidazol-2-yl)ethyl]acetamide
CID 7023918
N-[(1S)-1-[1-[3-(2,6-dimethylmorpholin-4-yl)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
CID 51126461
N-[(1R)-1-[1-(2-cyanoethyl)benzimidazol-2-yl]ethyl]acetamide
CID 39948802
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-[1-[3-(4-bromophenoxy)-2-hydroxypropyl]benzimidazol-2-yl]ethyl]acetamide
CID 42944370
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968118
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16968219
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 17029875
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide (CID 25486343) is N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide is CC(=O)N[C@@H](C)c1nc2ccccc2n1C[C@@H](O)c1ccccc1.
What is the InChIKey of N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is NJGDSKBLWHXCFO-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(20-14(2)23)19-21-16-10-6-7-11-17(16)22(19)12-18(24)15-8-4-3-5-9-15/h3-11,13,18,24H,12H2,1-2H3,(H,20,23)/t13-,18+/m0/s1.
What are the key properties of N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide?
N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 25486343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).