N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide

C22H25Cl2N3O — CID 16974719

IUPACN-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C22H25Cl2N3O/c1-3-15(4-2)22(28)25-13-12-21-26-19-10-5-6-11-20(19)27(21)14-16-17(23)8-7-9-18(16)24/h5-11,15H,3-4,12-14H2,1-2H3,(H,25,28)
InChIKeyMAGKRMOHFUWFDK-UHFFFAOYSA-N
MW418.37 g/mol
LogP5.49
Rot. Bonds8

About N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide

N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide (PubChem CID 16974719) has the molecular formula C22H25Cl2N3O and a molecular weight of 418.37 g/mol. Its IUPAC name is N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
PubChem CID16974719
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37 g/mol
Exact Mass417.14
IUPAC NameN-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C22H25Cl2N3O/c1-3-15(4-2)22(28)25-13-12-21-26-19-10-5-6-11-20(19)27(21)14-16-17(23)8-7-9-18(16)24/h5-11,15H,3-4,12-14H2,1-2H3,(H,25,28)
InChIKeyMAGKRMOHFUWFDK-UHFFFAOYSA-N
XLogP5.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988485
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-ethylbutanamide
CID 16974712
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977457
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
2-ethyl-N-[2-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974700
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
N-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-methylprop-2-enamide
CID 16972380
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 3160753

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide (CID 16974719) is N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
The InChIKey is MAGKRMOHFUWFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O/c1-3-15(4-2)22(28)25-13-12-21-26-19-10-5-6-11-20(19)27(21)14-16-17(23)8-7-9-18(16)24/h5-11,15H,3-4,12-14H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide?
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide has a molecular weight of 418.37 g/mol, XLogP of 5.49, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide is sourced from PubChem (CID 16974719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).