N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide

C19H31N5O+2 — CID 7011906

IUPACN-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CC[NH+](C)CC1)n2C
InChIInChI=1S/C19H29N5O/c1-4-5-19(25)20-15-6-7-17-16(14-15)21-18(23(17)3)8-9-24-12-10-22(2)11-13-24/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,25)/p+2
InChIKeyVXARDMRGTKQVQD-UHFFFAOYSA-P
MW345.49 g/mol
LogP-0.73
Rot. Bonds6

About N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide

N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide (PubChem CID 7011906) has the molecular formula C19H31N5O+2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide
PubChem CID7011906
Molecular FormulaC19H31N5O+2
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CC[NH+](C)CC1)n2C
InChIInChI=1S/C19H29N5O/c1-4-5-19(25)20-15-6-7-17-16(14-15)21-18(23(17)3)8-9-24-12-10-22(2)11-13-24/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,25)/p+2
InChIKeyVXARDMRGTKQVQD-UHFFFAOYSA-P
XLogP-0.73
TPSA55.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]butanamide
CID 4972904
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17218644
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-[2-[5-(butanoylamino)-1-methylbenzimidazol-2-yl]ethyl]-2-fluorobenzamide
CID 50752067
4-methoxy-N-[1-methyl-2-(2-morpholin-4-ium-4-ylethyl)benzimidazol-5-yl]benzamide
CID 7005485
N-[2-[1-methyl-5-(pentanoylamino)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270443
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670
N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]pentanamide
CID 17244491
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
N-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17236050
3-[5-(diethylsulfamoyl)-1-methylbenzimidazol-2-yl]-N-(3,4-difluorophenyl)propanamide
CID 26364425

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide (CID 7011906) is N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide is CCCC(=O)Nc1ccc2c(c1)nc(CC[NH+]1CC[NH+](C)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide?
The InChIKey is VXARDMRGTKQVQD-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H29N5O/c1-4-5-19(25)20-15-6-7-17-16(14-15)21-18(23(17)3)8-9-24-12-10-22(2)11-13-24/h6-7,14H,4-5,8-13H2,1-3H3,(H,20,25)/p+2.
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide?
N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide has a molecular weight of 345.49 g/mol, XLogP of -0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzimidazol-5-yl]butanamide is sourced from PubChem (CID 7011906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).