N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide

C19H29N5O3S — CID 20955787

IUPACN,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
SMILESCCCS(=O)(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1
InChIInChI=1S/C19H29N5O3S/c1-5-12-28(26,27)24-10-8-23(9-11-24)14-18-20-16-13-15(19(25)21(2)3)6-7-17(16)22(18)4/h6-7,13H,5,8-12,14H2,1-4H3
InChIKeyUFNXKKRCGXUEMK-UHFFFAOYSA-N
MW407.54 g/mol
LogP1.13
Rot. Bonds6

About N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide

N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 20955787) has the molecular formula C19H29N5O3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
PubChem CID20955787
Molecular FormulaC19H29N5O3S
Molecular Weight407.54 g/mol
Exact Mass407.20
IUPAC NameN,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
SMILESCCCS(=O)(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1
InChIInChI=1S/C19H29N5O3S/c1-5-12-28(26,27)24-10-8-23(9-11-24)14-18-20-16-13-15(19(25)21(2)3)6-7-17(16)22(18)4/h6-7,13H,5,8-12,14H2,1-4H3
InChIKeyUFNXKKRCGXUEMK-UHFFFAOYSA-N
XLogP1.13
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 20955785
N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 46379877
2-[[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822527
N,N,1-trimethyl-2-[[4-(3-phenylpropanoyl)piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50822579
2-[[4-(3-cyclopentylpropanoyl)piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822515
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822596
(1,2-dimethylbenzimidazol-5-yl)-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804882
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
1-ethyl-2-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 50822466
2-[(4-benzylsulfonylpiperazin-1-yl)methyl]-5-chloro-1-methylbenzimidazole
CID 60501515
2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50823989
4-[[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]methyl]-N-propylpiperazine-1-carboxamide
CID 20955781

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide (CID 20955787) is N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide is CCCS(=O)(=O)N1CCN(Cc2nc3cc(C(=O)N(C)C)ccc3n2C)CC1.
What is the InChIKey of N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is UFNXKKRCGXUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S/c1-5-12-28(26,27)24-10-8-23(9-11-24)14-18-20-16-13-15(19(25)21(2)3)6-7-17(16)22(18)4/h6-7,13H,5,8-12,14H2,1-4H3.
What are the key properties of N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 1.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2-[(4-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 20955787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).