2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide

C21H31N5O3S — CID 55902542

IUPAC2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CC3CC3)CC1)n2C
InChIInChI=1S/C21H31N5O3S/c1-23(2)30(28,29)17-6-7-19-18(14-17)22-20(24(19)3)8-9-21(27)26-12-10-25(11-13-26)15-16-4-5-16/h6-7,14,16H,4-5,8-13,15H2,1-3H3
InChIKeyCNQVNYWPPQXXQG-UHFFFAOYSA-N
MW433.58 g/mol
LogP1.31
Rot. Bonds7

About 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide

2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide (PubChem CID 55902542) has the molecular formula C21H31N5O3S and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
PubChem CID55902542
Molecular FormulaC21H31N5O3S
Molecular Weight433.58 g/mol
Exact Mass433.21
IUPAC Name2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CC3CC3)CC1)n2C
InChIInChI=1S/C21H31N5O3S/c1-23(2)30(28,29)17-6-7-19-18(14-17)22-20(24(19)3)8-9-21(27)26-12-10-25(11-13-26)15-16-4-5-16/h6-7,14,16H,4-5,8-13,15H2,1-3H3
InChIKeyCNQVNYWPPQXXQG-UHFFFAOYSA-N
XLogP1.31
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide 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

2-[4-[3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 41363685
N,N,1-trimethyl-2-(3-oxo-3-piperazin-1-ylpropyl)benzimidazole-5-sulfonamide
CID 119401535
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 55971058
2-[3-[4-(4-hydroxybenzoyl)piperidin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide
CID 24615493
N-cyclohexyl-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 46666978
2-[4-[3-[5-(dimethylsulfamoyl)-1-ethylbenzimidazol-2-yl]propanoyl]piperazin-1-yl]-N-ethylacetamide
CID 55566497
1-(azepan-1-yl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propan-1-one
CID 27658996
3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-[(1R,2R)-2-methylcyclohexyl]propanamide
CID 25388557
N-[(2S)-1-aminopropan-2-yl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-methylpropanamide
CID 129414976
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 25388498
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-[5-(dimethylsulfamoyl)-1-methylbenzimidazol-2-yl]propanamide
CID 42932368
ethyl 4-[3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanoyl]piperazine-1-carboxylate
CID 43002313

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
The IUPAC name of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide (CID 55902542) is 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide.
What is the SMILES notation for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
The canonical SMILES for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN(CC3CC3)CC1)n2C.
What is the InChIKey of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
The InChIKey is CNQVNYWPPQXXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3S/c1-23(2)30(28,29)17-6-7-19-18(14-17)22-20(24(19)3)8-9-21(27)26-12-10-25(11-13-26)15-16-4-5-16/h6-7,14,16H,4-5,8-13,15H2,1-3H3.
What are the key properties of 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide?
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide has a molecular weight of 433.58 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]-N,N,1-trimethylbenzimidazole-5-sulfonamide is sourced from PubChem (CID 55902542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).