1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

C18H29N5O — CID 128965874

IUPAC1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCN1CCN(C(=O)CN2CCCC2c2nc3c([nH]2)CCCC3)CC1
InChIInChI=1S/C18H29N5O/c1-21-9-11-22(12-10-21)17(24)13-23-8-4-7-16(23)18-19-14-5-2-3-6-15(14)20-18/h16H,2-13H2,1H3,(H,19,20)
InChIKeyZIXDVAYXMNCRBZ-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.20
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 128965874) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID128965874
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCN1CCN(C(=O)CN2CCCC2c2nc3c([nH]2)CCCC3)CC1
InChIInChI=1S/C18H29N5O/c1-21-9-11-22(12-10-21)17(24)13-23-8-4-7-16(23)18-19-14-5-2-3-6-15(14)20-18/h16H,2-13H2,1H3,(H,19,20)
InChIKeyZIXDVAYXMNCRBZ-UHFFFAOYSA-N
XLogP1.20
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone (CID 128965874) is 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is CN1CCN(C(=O)CN2CCCC2c2nc3c([nH]2)CCCC3)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZIXDVAYXMNCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21-9-11-22(12-10-21)17(24)13-23-8-4-7-16(23)18-19-14-5-2-3-6-15(14)20-18/h16H,2-13H2,1H3,(H,19,20).
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone?
1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 331.46 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 128965874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).