(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide

C22H26ClN3O2 — CID 58532047

IUPAC(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide
SMILESCCOCCn1c(CC[C@@H](C)C(N)=O)nc2cc(-c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H26ClN3O2/c1-3-28-13-12-26-20-10-7-17(16-5-8-18(23)9-6-16)14-19(20)25-21(26)11-4-15(2)22(24)27/h5-10,14-15H,3-4,11-13H2,1-2H3,(H2,24,27)/t15-/m1/s1
InChIKeyGOKMABMZDYTYCT-OAHLLOKOSA-N
MW399.92 g/mol
LogP4.45
Rot. Bonds9

About (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide

(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide (PubChem CID 58532047) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide
PubChem CID58532047
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide
SMILESCCOCCn1c(CC[C@@H](C)C(N)=O)nc2cc(-c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C22H26ClN3O2/c1-3-28-13-12-26-20-10-7-17(16-5-8-18(23)9-6-16)14-19(20)25-21(26)11-4-15(2)22(24)27/h5-10,14-15H,3-4,11-13H2,1-2H3,(H2,24,27)/t15-/m1/s1
InChIKeyGOKMABMZDYTYCT-OAHLLOKOSA-N
XLogP4.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[1-(2-ethoxyethyl)-6-(4-methylphenyl)benzimidazol-2-yl]methylamino]butanamide
CID 126490288
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
2-[6-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanamine
CID 46309314
(2S)-2-[[6-(3,4-difluorophenyl)-1-(2-ethoxyethyl)-5-methylbenzimidazol-2-yl]methylamino]propanamide
CID 58532104
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)benzimidazol-2-yl]methylamino]-2-methylpropanamide
CID 58532089
2-[2-[2-(2-chloroethyl)-5-iodobenzimidazol-1-yl]ethoxy]acetamide
CID 106240650
5-chloro-2-[(2,4-dimethylphenoxy)methyl]-1-(2-ethoxyethyl)benzimidazole
CID 46309290
2-chloro-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976156
2-[[1-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-oxoquinolin-3-yl]methylamino]propanamide
CID 143688058
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide?
The IUPAC name of (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide (CID 58532047) is (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide is CCOCCn1c(CC[C@@H](C)C(N)=O)nc2cc(-c3ccc(Cl)cc3)ccc21.
What is the InChIKey of (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide?
The InChIKey is GOKMABMZDYTYCT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-28-13-12-26-20-10-7-17(16-5-8-18(23)9-6-16)14-19(20)25-21(26)11-4-15(2)22(24)27/h5-10,14-15H,3-4,11-13H2,1-2H3,(H2,24,27)/t15-/m1/s1.
What are the key properties of (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide?
(2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide has a molecular weight of 399.92 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(4-chlorophenyl)-1-(2-ethoxyethyl)benzimidazol-2-yl]-2-methylbutanamide is sourced from PubChem (CID 58532047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).