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

C18H27N5O3S — CID 23611212

IUPAC2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(S(C)(=O)=O)CC1)n2C
InChIInChI=1S/C18H27N5O3S/c1-13(2)18(24)19-14-5-6-16-15(11-14)20-17(21(16)3)12-22-7-9-23(10-8-22)27(4,25)26/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,24)
InChIKeyAURYVYVKWGBFPD-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.25
Rot. Bonds5

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

2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide (PubChem CID 23611212) has the molecular formula C18H27N5O3S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
PubChem CID23611212
Molecular FormulaC18H27N5O3S
Molecular Weight393.51 g/mol
Exact Mass393.18
IUPAC Name2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(S(C)(=O)=O)CC1)n2C
InChIInChI=1S/C18H27N5O3S/c1-13(2)18(24)19-14-5-6-16-15(11-14)20-17(21(16)3)12-22-7-9-23(10-8-22)27(4,25)26/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,24)
InChIKeyAURYVYVKWGBFPD-UHFFFAOYSA-N
XLogP1.25
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 23611152
2-methyl-N-[1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
CID 17236024
N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611214
4-methoxy-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 46263404
2-methyl-N-[2-(piperidin-1-ylmethyl)-1-propylbenzimidazol-5-yl]propanamide
CID 53207528
N-[2-(azepan-1-ylmethyl)-1-methylbenzimidazol-5-yl]-3-methylbutanamide
CID 23612883
N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-2-methylpropanamide
CID 4898424
ethyl 4-[[1-methyl-5-(3-methylbutanoylamino)benzimidazol-2-yl]methyl]piperazine-1-carboxylate
CID 24761610
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide
CID 6416755
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-N-[1-methyl-2-(piperidin-1-ylmethyl)benzimidazol-5-yl]propanamide
CID 92589506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide (CID 23611212) is 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide is CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(S(C)(=O)=O)CC1)n2C.
What is the InChIKey of 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The InChIKey is AURYVYVKWGBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3S/c1-13(2)18(24)19-14-5-6-16-15(11-14)20-17(21(16)3)12-22-7-9-23(10-8-22)27(4,25)26/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,24).
What are the key properties of 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide has a molecular weight of 393.51 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 23611212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).