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

C18H27N5O — CID 666430

IUPACN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C
InChIInChI=1S/C18H27N5O/c1-4-18(24)19-14-5-6-16-15(13-14)20-17(22(16)3)7-8-23-11-9-21(2)10-12-23/h5-6,13H,4,7-12H2,1-3H3,(H,19,24)
InChIKeyZCALQRMWIAESNN-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.71
Rot. Bonds5

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

N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide (PubChem CID 666430) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
PubChem CID666430
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C
InChIInChI=1S/C18H27N5O/c1-4-18(24)19-14-5-6-16-15(13-14)20-17(22(16)3)7-8-23-11-9-21(2)10-12-23/h5-6,13H,4,7-12H2,1-3H3,(H,19,24)
InChIKeyZCALQRMWIAESNN-UHFFFAOYSA-N
XLogP1.71
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The IUPAC name of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide (CID 666430) is N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide is CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C.
What is the InChIKey of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
The InChIKey is ZCALQRMWIAESNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-18(24)19-14-5-6-16-15(13-14)20-17(22(16)3)7-8-23-11-9-21(2)10-12-23/h5-6,13H,4,7-12H2,1-3H3,(H,19,24).
What are the key properties of N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide?
N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide has a molecular weight of 329.45 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 666430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).