3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide

C20H22ClN3O2 — CID 42810164

IUPAC3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-26-13-11-22-20(25)10-12-24-18-9-5-4-8-17(18)23-19(24)14-15-6-2-3-7-16(15)21/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyBCODFGNVJFUWDF-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.43
Rot. Bonds8

About 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide

3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 42810164) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID42810164
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C20H22ClN3O2/c1-26-13-11-22-20(25)10-12-24-18-9-5-4-8-17(18)23-19(24)14-15-6-2-3-7-16(15)21/h2-9H,10-14H2,1H3,(H,22,25)
InChIKeyBCODFGNVJFUWDF-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.43
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

3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
2-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)butanamide
CID 42810626
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229
N-(2-methoxyethyl)-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
CID 91951418
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 83280152
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
2-(2-chlorophenyl)-N-[5-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993701
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
3-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)propanamide
CID 51066923

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide (CID 42810164) is 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCn1c(Cc2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is BCODFGNVJFUWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-26-13-11-22-20(25)10-12-24-18-9-5-4-8-17(18)23-19(24)14-15-6-2-3-7-16(15)21/h2-9H,10-14H2,1H3,(H,22,25).
What are the key properties of 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide?
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 371.87 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 42810164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).