[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate

C17H24N4O2 — CID 69229150

IUPAC[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate
SMILESCCn1c(COC(C)=O)nc2cccc(N3CCN(C)CC3)c21
InChIInChI=1S/C17H24N4O2/c1-4-21-16(12-23-13(2)22)18-14-6-5-7-15(17(14)21)20-10-8-19(3)9-11-20/h5-7H,4,8-12H2,1-3H3
InChIKeyAUCCKTJCQNGVBV-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.87
Rot. Bonds4

About [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate

[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate (PubChem CID 69229150) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate.

Molecular Properties

Compound Name[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate
PubChem CID69229150
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate
SMILESCCn1c(COC(C)=O)nc2cccc(N3CCN(C)CC3)c21
InChIInChI=1S/C17H24N4O2/c1-4-21-16(12-23-13(2)22)18-14-6-5-7-15(17(14)21)20-10-8-19(3)9-11-20/h5-7H,4,8-12H2,1-3H3
InChIKeyAUCCKTJCQNGVBV-UHFFFAOYSA-N
XLogP1.87
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-methyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]hexan-1-one
CID 145424412
ethyl 7-bromo-1-methylbenzimidazole-2-carboxylate;ethyl 1-methyl-7-(4-methylpiperazin-1-yl)benzimidazole-2-carboxylate;1-methylpiperazine
CID 160804795
ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate
CID 19101699
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
CID 21404567
1-ethyl-4-(4-methylpiperazin-1-yl)-2,3-dihydroindole
CID 167253951
3-(7-chloro-1-ethylbenzimidazol-2-yl)propanoic acid
CID 60783679
ethyl 8-ethyl-5-(4-methylpiperazin-1-yl)-7-oxo-1,8-naphthyridine-4-carboxylate
CID 70581183
2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 40673693
2-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826613
3-amino-3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 117413219
tert-butyl 4-[2-(acetyloxymethyl)-1H-benzimidazol-4-yl]piperazine-1-carboxylate
CID 59666040
3-(3-ethoxy-3-oxopropyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115933242

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate?
The IUPAC name of [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate (CID 69229150) is [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate.
What is the SMILES notation for [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate?
The canonical SMILES for [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate is CCn1c(COC(C)=O)nc2cccc(N3CCN(C)CC3)c21.
What is the InChIKey of [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate?
The InChIKey is AUCCKTJCQNGVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-4-21-16(12-23-13(2)22)18-14-6-5-7-15(17(14)21)20-10-8-19(3)9-11-20/h5-7H,4,8-12H2,1-3H3.
What are the key properties of [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate?
[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate has a molecular weight of 316.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate is sourced from PubChem (CID 69229150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).