N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C21H24ClN3O — CID 3160753

IUPACN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O/c1-21(2,3)20(26)23-13-12-19-24-17-10-6-7-11-18(17)25(19)14-15-8-4-5-9-16(15)22/h4-11H,12-14H2,1-3H3,(H,23,26)
InChIKeyCLBTZLQRLBNYGV-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.44
Rot. Bonds5

About N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 3160753) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID3160753
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC NameN-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C21H24ClN3O/c1-21(2,3)20(26)23-13-12-19-24-17-10-6-7-11-18(17)25(19)14-15-8-4-5-9-16(15)22/h4-11H,12-14H2,1-3H3,(H,23,26)
InChIKeyCLBTZLQRLBNYGV-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975895
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
N-[3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981428
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 2992540
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16979744
2-(2-chlorophenyl)-N-[2-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16979229

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 3160753) is N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is CLBTZLQRLBNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c1-21(2,3)20(26)23-13-12-19-24-17-10-6-7-11-18(17)25(19)14-15-8-4-5-9-16(15)22/h4-11H,12-14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 369.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3160753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).