N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide

C21H17Cl2N3OS — CID 16975589

IUPACN-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C21H17Cl2N3OS/c22-15-8-7-14(16(23)12-15)13-26-18-5-2-1-4-17(18)25-20(26)9-10-24-21(27)19-6-3-11-28-19/h1-8,11-12H,9-10,13H2,(H,24,27)
InChIKeyJFDVOXLVTRGJCW-UHFFFAOYSA-N
MW430.36 g/mol
LogP5.43
Rot. Bonds6

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

N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 16975589) has the molecular formula C21H17Cl2N3OS and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID16975589
Molecular FormulaC21H17Cl2N3OS
Molecular Weight430.36 g/mol
Exact Mass429.05
IUPAC NameN-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C21H17Cl2N3OS/c22-15-8-7-14(16(23)12-15)13-26-18-5-2-1-4-17(18)25-20(26)9-10-24-21(27)19-6-3-11-28-19/h1-8,11-12H,9-10,13H2,(H,24,27)
InChIKeyJFDVOXLVTRGJCW-UHFFFAOYSA-N
XLogP5.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.36
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973752
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980393
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[2-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975651
N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975605
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982068
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975607
N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982069
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
2-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976056

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide (CID 16975589) is N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is JFDVOXLVTRGJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3OS/c22-15-8-7-14(16(23)12-15)13-26-18-5-2-1-4-17(18)25-20(26)9-10-24-21(27)19-6-3-11-28-19/h1-8,11-12H,9-10,13H2,(H,24,27).
What are the key properties of N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide?
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 16975589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).