6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole

C16H24N4 — CID 82336181

IUPAC6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESCCc1ccc2nc(C(C)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C16H24N4/c1-4-13-5-6-14-15(11-13)18-16(17-14)12(2)20-9-7-19(3)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyJXXLORDZBKMVGI-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.43
Rot. Bonds3

About 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole

6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole (PubChem CID 82336181) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
PubChem CID82336181
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
SMILESCCc1ccc2nc(C(C)N3CCN(C)CC3)[nH]c2c1
InChIInChI=1S/C16H24N4/c1-4-13-5-6-14-15(11-13)18-16(17-14)12(2)20-9-7-19(3)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,18)
InChIKeyJXXLORDZBKMVGI-UHFFFAOYSA-N
XLogP2.43
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
CID 82336102
N,N-diethyl-1-(6-ethyl-1H-benzimidazol-2-yl)ethanamine
CID 82336183
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
6-ethoxy-2-[1-(4-methylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336041
N-[1-(6-ethyl-1H-benzimidazol-2-yl)ethyl]-N-methylcyclohexanamine
CID 82336177
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456711
N-methyl-1-(2-propan-2-yl-3H-benzimidazol-5-yl)methanamine
CID 82491783
N-[1-(6-ethyl-1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336357
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
[2-(3-methylbutan-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004415
2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanol
CID 82491889

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The IUPAC name of 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole (CID 82336181) is 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole is CCc1ccc2nc(C(C)N3CCN(C)CC3)[nH]c2c1.
What is the InChIKey of 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole?
The InChIKey is JXXLORDZBKMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-4-13-5-6-14-15(11-13)18-16(17-14)12(2)20-9-7-19(3)8-10-20/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,18).
What are the key properties of 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole?
6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole has a molecular weight of 272.40 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 82336181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).