2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide

C21H24ClN3O2 — CID 42810621

IUPAC2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(Cc2cccc(Cl)c2)nc2cc(C)c(C)cc21
InChIInChI=1S/C21H24ClN3O2/c1-14-9-18-19(10-15(14)2)25(13-21(26)23-7-8-27-3)20(24-18)12-16-5-4-6-17(22)11-16/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,26)
InChIKeyADNQYNLTAOLUEX-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.66
Rot. Bonds7

About 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide

2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 42810621) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide
PubChem CID42810621
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1c(Cc2cccc(Cl)c2)nc2cc(C)c(C)cc21
InChIInChI=1S/C21H24ClN3O2/c1-14-9-18-19(10-15(14)2)25(13-21(26)23-7-8-27-3)20(24-18)12-16-5-4-6-17(22)11-16/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,26)
InChIKeyADNQYNLTAOLUEX-UHFFFAOYSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.66
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-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 17032534
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-methoxyethyl)acetamide
CID 50761211
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42810644
2-[2-[(3-chlorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 18571090
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N-(2-methoxyethyl)acetamide
CID 113405656
N-(2-methoxyethyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 35805150
1-(4-acetylpiperazin-1-yl)-2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-one
CID 42810646
1-[(3-chlorophenyl)methyl]-3-(2-methoxyethyl)-1-methylurea
CID 47127829
N-propyl-2-(2,5,6-trimethylbenzimidazol-1-yl)acetamide
CID 17028516
2-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]acetic acid
CID 94748134
N-(3-chlorophenyl)-2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 17031158

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide (CID 42810621) is 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1c(Cc2cccc(Cl)c2)nc2cc(C)c(C)cc21.
What is the InChIKey of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is ADNQYNLTAOLUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-14-9-18-19(10-15(14)2)25(13-21(26)23-7-8-27-3)20(24-18)12-16-5-4-6-17(22)11-16/h4-6,9-11H,7-8,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide?
2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 42810621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).