6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole

C14H18N4O2 — CID 82336757

IUPAC6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCN1CCN(Cc2nc3cc4c(cc3[nH]2)OCO4)CC1
InChIInChI=1S/C14H18N4O2/c1-17-2-4-18(5-3-17)8-14-15-10-6-12-13(20-9-19-12)7-11(10)16-14/h6-7H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyMLZALIMUDQFZKA-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.04
Rot. Bonds2

About 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole

6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole (PubChem CID 82336757) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole.

Molecular Properties

Compound Name6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
PubChem CID82336757
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole
SMILESCN1CCN(Cc2nc3cc4c(cc3[nH]2)OCO4)CC1
InChIInChI=1S/C14H18N4O2/c1-17-2-4-18(5-3-17)8-14-15-10-6-12-13(20-9-19-12)7-11(10)16-14/h6-7H,2-5,8-9H2,1H3,(H,15,16)
InChIKeyMLZALIMUDQFZKA-UHFFFAOYSA-N
XLogP1.04
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl(methyl)amino]ethanol
CID 82336761
2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-1H-benzimidazole
CID 4915687
N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-ylmethyl)-N-ethylaniline
CID 82336768
6-(phenoxymethyl)-5H-[1,3]dioxolo[4,5-f]benzimidazole
CID 39158501
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 166197291
5,6-difluoro-2-(piperidin-1-ylmethyl)-1H-benzimidazole
CID 82336660
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
CID 14855666
6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-ylmethanamine;dihydrochloride
CID 167719364
2-(3-methylbutyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 43349056
N-propyl-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-amine
CID 82564426
2-(propan-2-yloxymethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 112603016
3-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)propanoic acid
CID 6484257

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The IUPAC name of 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole (CID 82336757) is 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole.
What is the SMILES notation for 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The canonical SMILES for 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole is CN1CCN(Cc2nc3cc4c(cc3[nH]2)OCO4)CC1.
What is the InChIKey of 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole?
The InChIKey is MLZALIMUDQFZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-2-4-18(5-3-17)8-14-15-10-6-12-13(20-9-19-12)7-11(10)16-14/h6-7H,2-5,8-9H2,1H3,(H,15,16).
What are the key properties of 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole?
6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole has a molecular weight of 274.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylpiperazin-1-yl)methyl]-5H-[1,3]dioxolo[4,5-f]benzimidazole is sourced from PubChem (CID 82336757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).