N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide

C23H20ClN3O2 — CID 3413795

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H20ClN3O2/c1-14-13-17(24)9-12-21(14)29-15(2)23(28)25-18-10-7-16(8-11-18)22-26-19-5-3-4-6-20(19)27-22/h3-13,15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyMEVIWMIRHQUUGL-UHFFFAOYSA-N
MW405.89 g/mol
LogP5.60
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 3413795) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID3413795
Molecular FormulaC23H20ClN3O2
Molecular Weight405.89 g/mol
Exact Mass405.12
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C23H20ClN3O2/c1-14-13-17(24)9-12-21(14)29-15(2)23(28)25-18-10-7-16(8-11-18)22-26-19-5-3-4-6-20(19)27-22/h3-13,15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyMEVIWMIRHQUUGL-UHFFFAOYSA-N
XLogP5.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.89
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1365329
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
N-[1-[4-(1H-benzimidazol-2-yl)anilino]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112767961
2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18230517
2-(4-chloro-2-methylphenoxy)-N-(3,4-difluorophenyl)propanamide
CID 2932686
methyl 4-[[(2S)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzoate
CID 723990
(2R)-N-(3-chloro-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2683063
2-(4-chloro-2-methylphenoxy)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 112764343
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2676975
2-(4-chloro-2-methylphenoxy)-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]propanamide
CID 3590295

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide (CID 3413795) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is MEVIWMIRHQUUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-14-13-17(24)9-12-21(14)29-15(2)23(28)25-18-10-7-16(8-11-18)22-26-19-5-3-4-6-20(19)27-22/h3-13,15H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 405.89 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 3413795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).