7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole

C13H18N4O — CID 84632352

IUPAC7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
SMILESCOc1cccc2nc(N3CCNCC3)n(C)c12
InChIInChI=1S/C13H18N4O/c1-16-12-10(4-3-5-11(12)18-2)15-13(16)17-8-6-14-7-9-17/h3-5,14H,6-9H2,1-2H3
InChIKeyMPPBRAXUUFIQMA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.99
Rot. Bonds2

About 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole

7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole (PubChem CID 84632352) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
PubChem CID84632352
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole
SMILESCOc1cccc2nc(N3CCNCC3)n(C)c12
InChIInChI=1S/C13H18N4O/c1-16-12-10(4-3-5-11(12)18-2)15-13(16)17-8-6-14-7-9-17/h3-5,14H,6-9H2,1-2H3
InChIKeyMPPBRAXUUFIQMA-UHFFFAOYSA-N
XLogP0.99
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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1-methyl-2-piperazin-1-yl-[1]benzothiolo[2,3-d]imidazole
CID 10038903
4,8-dimethoxy-2-piperazin-1-ylquinazoline
CID 139659464
3-bromo-7-methoxy-1-methyl-2-piperidin-4-ylindole
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1-(5-methoxy-2-phenyl-1,2,4-triazol-3-yl)piperazine
CID 59511192
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
CID 15169803
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 19419834
7-(2-methoxyphenyl)-3-methyl-8-piperazin-1-yl-1-prop-2-ynylpurine-2,6-dione
CID 22029482
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CID 1290462

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole (CID 84632352) is 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole is COc1cccc2nc(N3CCNCC3)n(C)c12.
What is the InChIKey of 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole?
The InChIKey is MPPBRAXUUFIQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-12-10(4-3-5-11(12)18-2)15-13(16)17-8-6-14-7-9-17/h3-5,14H,6-9H2,1-2H3.
What are the key properties of 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole?
7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole has a molecular weight of 246.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-methyl-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 84632352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).