N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C23H19Cl2N3O — CID 16975738

IUPACN-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H19Cl2N3O/c24-18-11-10-16(14-19(18)25)15-28-21-9-5-4-8-20(21)27-22(28)12-13-26-23(29)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,26,29)
InChIKeyMCPCMCHWECZFPQ-UHFFFAOYSA-N
MW424.33 g/mol
LogP5.36
Rot. Bonds6

About N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16975738) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16975738
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC NameN-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1
InChIInChI=1S/C23H19Cl2N3O/c24-18-11-10-16(14-19(18)25)15-28-21-9-5-4-8-20(21)27-22(28)12-13-26-23(29)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,26,29)
InChIKeyMCPCMCHWECZFPQ-UHFFFAOYSA-N
XLogP5.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964262
2-(2-chlorophenyl)-N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979261
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987846
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888
N-[3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981428
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964272

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16975738) is N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1.
What is the InChIKey of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is MCPCMCHWECZFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c24-18-11-10-16(14-19(18)25)15-28-21-9-5-4-8-20(21)27-22(28)12-13-26-23(29)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2,(H,26,29).
What are the key properties of N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 424.33 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16975738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).