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

C20H15Cl2N3OS — CID 16973752

IUPACN-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C20H15Cl2N3OS/c21-14-8-7-13(15(22)10-14)12-25-17-5-2-1-4-16(17)24-19(25)11-23-20(26)18-6-3-9-27-18/h1-10H,11-12H2,(H,23,26)
InChIKeyTXPQLTAXQOLAKC-UHFFFAOYSA-N
MW416.33 g/mol
LogP5.38
Rot. Bonds5

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

N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 16973752) has the molecular formula C20H15Cl2N3OS and a molecular weight of 416.33 g/mol. Its IUPAC name is N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
PubChem CID16973752
Molecular FormulaC20H15Cl2N3OS
Molecular Weight416.33 g/mol
Exact Mass415.03
IUPAC NameN-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccs1
InChIInChI=1S/C20H15Cl2N3OS/c21-14-8-7-13(15(22)10-14)12-25-17-5-2-1-4-16(17)24-19(25)11-23-20(26)18-6-3-9-27-18/h1-10H,11-12H2,(H,23,26)
InChIKeyTXPQLTAXQOLAKC-UHFFFAOYSA-N
XLogP5.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975589
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008080
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 16973875
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
N-[2-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16980393
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975593
N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973825
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide (CID 16973752) is N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccs1.
What is the InChIKey of N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is TXPQLTAXQOLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3OS/c21-14-8-7-13(15(22)10-14)12-25-17-5-2-1-4-16(17)24-19(25)11-23-20(26)18-6-3-9-27-18/h1-10H,11-12H2,(H,23,26).
What are the key properties of N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide?
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 416.33 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).