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

C24H21ClFN3O2 — CID 25341478

IUPACN-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
SMILESO=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClFN3O2/c25-18-9-5-16(6-10-18)14-27-24(31)13-23-28-20-3-1-2-4-21(20)29(23)15-22(30)17-7-11-19(26)12-8-17/h1-12,22,30H,13-15H2,(H,27,31)/t22-/m1/s1
InChIKeyZFCNOOLMBLNDMM-JOCHJYFZSA-N
MW437.90 g/mol
LogP4.42
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide (PubChem CID 25341478) has the molecular formula C24H21ClFN3O2 and a molecular weight of 437.90 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
PubChem CID25341478
Molecular FormulaC24H21ClFN3O2
Molecular Weight437.90 g/mol
Exact Mass437.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
SMILESO=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C24H21ClFN3O2/c25-18-9-5-16(6-10-18)14-27-24(31)13-23-28-20-3-1-2-4-21(20)29(23)15-22(30)17-7-11-19(26)12-8-17/h1-12,22,30H,13-15H2,(H,27,31)/t22-/m1/s1
InChIKeyZFCNOOLMBLNDMM-JOCHJYFZSA-N
XLogP4.42
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.90
LogP ≤ 54.42
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-benzyl-2-[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 25369283
2-(4-chlorophenoxy)-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]acetamide
CID 16971102
2-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide
CID 110897803
N-[(4-chlorophenyl)methyl]-2-[1-[2-hydroxy-3-(3-nitrophenoxy)propyl]benzimidazol-2-yl]acetamide
CID 46698014
4-fluoro-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008866
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(4-fluorophenyl)acetamide
CID 110712099
N-benzyl-2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032565
N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970622
N-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 122172362
2-(4-chlorophenyl)-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979430
2-ethyl-N-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006380

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide (CID 25341478) is N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide is O=C(Cc1nc2ccccc2n1C[C@@H](O)c1ccc(F)cc1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
The InChIKey is ZFCNOOLMBLNDMM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H21ClFN3O2/c25-18-9-5-16(6-10-18)14-27-24(31)13-23-28-20-3-1-2-4-21(20)29(23)15-22(30)17-7-11-19(26)12-8-17/h1-12,22,30H,13-15H2,(H,27,31)/t22-/m1/s1.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide?
N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide has a molecular weight of 437.90 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[1-[(2S)-2-(4-fluorophenyl)-2-hydroxyethyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 25341478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).