N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide

C24H22ClN3O2 — CID 25369283

IUPACN-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
SMILESO=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C24H22ClN3O2/c25-19-12-10-18(11-13-19)22(29)16-28-21-9-5-4-8-20(21)27-23(28)14-24(30)26-15-17-6-2-1-3-7-17/h1-13,22,29H,14-16H2,(H,26,30)/t22-/m1/s1
InChIKeyGKMDSYJALRCQAD-JOCHJYFZSA-N
MW419.91 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide

N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide (PubChem CID 25369283) has the molecular formula C24H22ClN3O2 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
PubChem CID25369283
Molecular FormulaC24H22ClN3O2
Molecular Weight419.91 g/mol
Exact Mass419.14
IUPAC NameN-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
SMILESO=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1)NCc1ccccc1
InChIInChI=1S/C24H22ClN3O2/c25-19-12-10-18(11-13-19)22(29)16-28-21-9-5-4-8-20(21)27-23(28)14-24(30)26-15-17-6-2-1-3-7-17/h1-13,22,29H,14-16H2,(H,26,30)/t22-/m1/s1
InChIKeyGKMDSYJALRCQAD-JOCHJYFZSA-N
XLogP4.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[1-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]acetamide
CID 25406903
N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25341478
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[(4-chlorophenyl)methyl]-2-[1-[2-hydroxy-3-(3-nitrophenoxy)propyl]benzimidazol-2-yl]acetamide
CID 46698014
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
N-[[1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348176
N-[[1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]benzimidazol-2-yl]methyl]benzamide
CID 25348175
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
3-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylquinazolin-4-one
CID 38778947
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide (CID 25369283) is N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide is O=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccc(Cl)cc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The InChIKey is GKMDSYJALRCQAD-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H22ClN3O2/c25-19-12-10-18(11-13-19)22(29)16-28-21-9-5-4-8-20(21)27-23(28)14-24(30)26-15-17-6-2-1-3-7-17/h1-13,22,29H,14-16H2,(H,26,30)/t22-/m1/s1.
What are the key properties of N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide has a molecular weight of 419.91 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 25369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).