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

C20H25N5O3S2 — CID 46379877

IUPACN,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3cccs3)CC1)n2C
InChIInChI=1S/C20H25N5O3S2/c1-22(2)20(26)15-6-7-17-16(13-15)21-18(23(17)3)14-24-8-10-25(11-9-24)30(27,28)19-5-4-12-29-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyBWKKAEBQJNQUFA-UHFFFAOYSA-N
MW447.59 g/mol
LogP1.84
Rot. Bonds5

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

N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide (PubChem CID 46379877) has the molecular formula C20H25N5O3S2 and a molecular weight of 447.59 g/mol. Its IUPAC name is N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
PubChem CID46379877
Molecular FormulaC20H25N5O3S2
Molecular Weight447.59 g/mol
Exact Mass447.14
IUPAC NameN,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3cccs3)CC1)n2C
InChIInChI=1S/C20H25N5O3S2/c1-22(2)20(26)15-6-7-17-16(13-15)21-18(23(17)3)14-24-8-10-25(11-9-24)30(27,28)19-5-4-12-29-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyBWKKAEBQJNQUFA-UHFFFAOYSA-N
XLogP1.84
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.59
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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-propylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide
CID 20955787
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
N,N-dimethyl-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 9111668
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 50822596
2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1-methyl-N-propan-2-ylbenzimidazole-5-carboxamide
CID 50823827
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
(1-ethylbenzotriazol-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9496380
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
The IUPAC name of N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide (CID 46379877) is N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2c(c1)nc(CN1CCN(S(=O)(=O)c3cccs3)CC1)n2C.
What is the InChIKey of N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
The InChIKey is BWKKAEBQJNQUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S2/c1-22(2)20(26)15-6-7-17-16(13-15)21-18(23(17)3)14-24-8-10-25(11-9-24)30(27,28)19-5-4-12-29-19/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide?
N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide has a molecular weight of 447.59 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-2-[(4-thiophen-2-ylsulfonylpiperazin-1-yl)methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 46379877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).