2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole

C15H22N4 — CID 82500177

IUPAC2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
SMILESCCc1nc2ccc(CCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-2-15-17-13-4-3-12(11-14(13)18-15)5-8-19-9-6-16-7-10-19/h3-4,11,16H,2,5-10H2,1H3,(H,17,18)
InChIKeyWASHSDSMLBMEIW-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.57
Rot. Bonds4

About 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole

2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole (PubChem CID 82500177) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
PubChem CID82500177
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
SMILESCCc1nc2ccc(CCN3CCNCC3)cc2[nH]1
InChIInChI=1S/C15H22N4/c1-2-15-17-13-4-3-12(11-14(13)18-15)5-8-19-9-6-16-7-10-19/h3-4,11,16H,2,5-10H2,1H3,(H,17,18)
InChIKeyWASHSDSMLBMEIW-UHFFFAOYSA-N
XLogP1.57
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
(2-ethyl-3H-benzimidazol-5-yl)methanesulfonic acid
CID 175304465
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
N-[2-(2-ethyl-3H-benzimidazol-5-yl)ethyl]propan-2-amine
CID 96673204
1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
2-(methylsulfonylmethyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 102317477
2-(piperazin-1-ylmethyl)-3H-benzimidazol-5-ol
CID 81431285
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-2-amine
CID 82493442
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazol-5-amine
CID 96680191
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2-(methylsulfanylmethyl)-1H-benzimidazole
CID 10668472

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole?
The IUPAC name of 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole (CID 82500177) is 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole?
The canonical SMILES for 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole is CCc1nc2ccc(CCN3CCNCC3)cc2[nH]1.
What is the InChIKey of 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole?
The InChIKey is WASHSDSMLBMEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-2-15-17-13-4-3-12(11-14(13)18-15)5-8-19-9-6-16-7-10-19/h3-4,11,16H,2,5-10H2,1H3,(H,17,18).
What are the key properties of 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole?
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole has a molecular weight of 258.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 82500177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).