N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide

C20H21Cl2N3O3S — CID 66926041

IUPACN-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1c(Cc2ccc(Cl)cc2Cl)ccc2[nH]c(C)nc12
InChIInChI=1S/C20H21Cl2N3O3S/c1-3-4-9-29(27,28)25-20(26)18-14(6-8-17-19(18)24-12(2)23-17)10-13-5-7-15(21)11-16(13)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyWLAMEPCBOVAGDC-UHFFFAOYSA-N
MW454.38 g/mol
LogP4.63
Rot. Bonds7

About N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide

N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 66926041) has the molecular formula C20H21Cl2N3O3S and a molecular weight of 454.38 g/mol. Its IUPAC name is N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
PubChem CID66926041
Molecular FormulaC20H21Cl2N3O3S
Molecular Weight454.38 g/mol
Exact Mass453.07
IUPAC NameN-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide
SMILESCCCCS(=O)(=O)NC(=O)c1c(Cc2ccc(Cl)cc2Cl)ccc2[nH]c(C)nc12
InChIInChI=1S/C20H21Cl2N3O3S/c1-3-4-9-29(27,28)25-20(26)18-14(6-8-17-19(18)24-12(2)23-17)10-13-5-7-15(21)11-16(13)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyWLAMEPCBOVAGDC-UHFFFAOYSA-N
XLogP4.63
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide (CID 66926041) is N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide is CCCCS(=O)(=O)NC(=O)c1c(Cc2ccc(Cl)cc2Cl)ccc2[nH]c(C)nc12.
What is the InChIKey of N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is WLAMEPCBOVAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3S/c1-3-4-9-29(27,28)25-20(26)18-14(6-8-17-19(18)24-12(2)23-17)10-13-5-7-15(21)11-16(13)22/h5-8,11H,3-4,9-10H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide?
N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 454.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylsulfonyl-5-[(2,4-dichlorophenyl)methyl]-2-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 66926041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).