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

C18H27N5O — CID 23611152

IUPAC2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C
InChIInChI=1S/C18H27N5O/c1-13(2)18(24)19-14-5-6-16-15(11-14)20-17(22(16)4)12-23-9-7-21(3)8-10-23/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,24)
InChIKeyFWLMXRACJUEFJW-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.92
Rot. Bonds4

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

2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide (PubChem CID 23611152) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
PubChem CID23611152
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C
InChIInChI=1S/C18H27N5O/c1-13(2)18(24)19-14-5-6-16-15(11-14)20-17(22(16)4)12-23-9-7-21(3)8-10-23/h5-6,11,13H,7-10,12H2,1-4H3,(H,19,24)
InChIKeyFWLMXRACJUEFJW-UHFFFAOYSA-N
XLogP1.92
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide (CID 23611152) is 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide is CC(C)C(=O)Nc1ccc2c(c1)nc(CN1CCN(C)CC1)n2C.
What is the InChIKey of 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
The InChIKey is FWLMXRACJUEFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-13(2)18(24)19-14-5-6-16-15(11-14)20-17(22(16)4)12-23-9-7-21(3)8-10-23/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-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide?
2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide has a molecular weight of 329.45 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 23611152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).