4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

C22H27N5O4S — CID 46263404

IUPAC4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(S(C)(=O)=O)CC2)n3C)cc1
InChIInChI=1S/C22H27N5O4S/c1-25-20-9-6-17(23-22(28)16-4-7-18(31-2)8-5-16)14-19(20)24-21(25)15-26-10-12-27(13-11-26)32(3,29)30/h4-9,14H,10-13,15H2,1-3H3,(H,23,28)
InChIKeyLWQPDGFABKANKJ-UHFFFAOYSA-N
MW457.56 g/mol
LogP1.91
Rot. Bonds6

About 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (PubChem CID 46263404) has the molecular formula C22H27N5O4S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
PubChem CID46263404
Molecular FormulaC22H27N5O4S
Molecular Weight457.56 g/mol
Exact Mass457.18
IUPAC Name4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(S(C)(=O)=O)CC2)n3C)cc1
InChIInChI=1S/C22H27N5O4S/c1-25-20-9-6-17(23-22(28)16-4-7-18(31-2)8-5-16)14-19(20)24-21(25)15-26-10-12-27(13-11-26)32(3,29)30/h4-9,14H,10-13,15H2,1-3H3,(H,23,28)
InChIKeyLWQPDGFABKANKJ-UHFFFAOYSA-N
XLogP1.91
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide 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-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611212
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 4888718
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
3,4-dimethoxy-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236037
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
4-chloro-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236030
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-(4-methoxyphenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43919706
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
4-[(4-methylsulfonylpiperazin-1-yl)methyl]-N-naphthalen-2-ylbenzamide
CID 43919630
4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide
CID 7005485

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (CID 46263404) is 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCN(S(C)(=O)=O)CC2)n3C)cc1.
What is the InChIKey of 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The InChIKey is LWQPDGFABKANKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4S/c1-25-20-9-6-17(23-22(28)16-4-7-18(31-2)8-5-16)14-19(20)24-21(25)15-26-10-12-27(13-11-26)32(3,29)30/h4-9,14H,10-13,15H2,1-3H3,(H,23,28).
What are the key properties of 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide has a molecular weight of 457.56 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 46263404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).