1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole

C14H20N4 — CID 117363225

IUPAC1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
SMILESCn1cnc2ccc(CCN3CCNCC3)cc21
InChIInChI=1S/C14H20N4/c1-17-11-16-13-3-2-12(10-14(13)17)4-7-18-8-5-15-6-9-18/h2-3,10-11,15H,4-9H2,1H3
InChIKeyJRBFZBOBVNRSLE-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.02
Rot. Bonds3

About 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole

1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole (PubChem CID 117363225) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole.

Molecular Properties

Compound Name1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
PubChem CID117363225
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
SMILESCn1cnc2ccc(CCN3CCNCC3)cc21
InChIInChI=1S/C14H20N4/c1-17-11-16-13-3-2-12(10-14(13)17)4-7-18-8-5-15-6-9-18/h2-3,10-11,15H,4-9H2,1H3
InChIKeyJRBFZBOBVNRSLE-UHFFFAOYSA-N
XLogP1.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-(2-piperazin-1-ylethyl)benzimidazol-2-one
CID 96680180
[4-(2-piperazin-1-ylethyl)-2-pyridinyl]methanol
CID 84788091
1-methyl-7-(2-piperazin-1-ylethyl)isoquinoline
CID 117391822
5-(2-piperazin-1-ylethyl)-1,3-benzothiazole
CID 82498602
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462
5-[2-(1,4-diazepan-1-yl)ethyl]-3-methyl-1,3-benzoxazol-2-one
CID 98033822
1-[2-(3,4-dimethylphenyl)ethyl]-1,4-diazepane
CID 82289921
1-[2-(3-ethyl-4-methylphenyl)ethyl]piperazine
CID 84696121
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
CID 82500614

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole?
The IUPAC name of 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole (CID 117363225) is 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole.
What is the SMILES notation for 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole?
The canonical SMILES for 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole is Cn1cnc2ccc(CCN3CCNCC3)cc21.
What is the InChIKey of 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole?
The InChIKey is JRBFZBOBVNRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-17-11-16-13-3-2-12(10-14(13)17)4-7-18-8-5-15-6-9-18/h2-3,10-11,15H,4-9H2,1H3.
What are the key properties of 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole?
1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole is sourced from PubChem (CID 117363225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).