1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one

C19H28N4O — CID 145424412

IUPAC1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one
SMILESCCCCCC(=O)c1nc2cccc(N3CCN(C)CC3)c2n1C
InChIInChI=1S/C19H28N4O/c1-4-5-6-10-17(24)19-20-15-8-7-9-16(18(15)22(19)3)23-13-11-21(2)12-14-23/h7-9H,4-6,10-14H2,1-3H3
InChIKeyBZVAGNPSGJKIRS-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.09
Rot. Bonds6

About 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one

1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one (PubChem CID 145424412) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one.

Molecular Properties

Compound Name1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one
PubChem CID145424412
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one
SMILESCCCCCC(=O)c1nc2cccc(N3CCN(C)CC3)c2n1C
InChIInChI=1S/C19H28N4O/c1-4-5-6-10-17(24)19-20-15-8-7-9-16(18(15)22(19)3)23-13-11-21(2)12-14-23/h7-9H,4-6,10-14H2,1-3H3
InChIKeyBZVAGNPSGJKIRS-UHFFFAOYSA-N
XLogP3.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one?
The IUPAC name of 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one (CID 145424412) is 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one.
What is the SMILES notation for 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one?
The canonical SMILES for 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one is CCCCCC(=O)c1nc2cccc(N3CCN(C)CC3)c2n1C.
What is the InChIKey of 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one?
The InChIKey is BZVAGNPSGJKIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-4-5-6-10-17(24)19-20-15-8-7-9-16(18(15)22(19)3)23-13-11-21(2)12-14-23/h7-9H,4-6,10-14H2,1-3H3.
What are the key properties of 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one?
1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one has a molecular weight of 328.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one is sourced from PubChem (CID 145424412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).