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

C13H18N4 — CID 116928065

IUPAC6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
SMILESCN1CCNCC1Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4/c1-17-5-4-14-8-11(17)6-10-2-3-12-13(7-10)16-9-15-12/h2-3,7,9,11,14H,4-6,8H2,1H3,(H,15,16)
InChIKeyCBXMUYDKLITQCC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.01
Rot. Bonds2

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

6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole (PubChem CID 116928065) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
PubChem CID116928065
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
SMILESCN1CCNCC1Cc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4/c1-17-5-4-14-8-11(17)6-10-2-3-12-13(7-10)16-9-15-12/h2-3,7,9,11,14H,4-6,8H2,1H3,(H,15,16)
InChIKeyCBXMUYDKLITQCC-UHFFFAOYSA-N
XLogP1.01
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-methylpiperazin-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116928064
(2S)-2-[(3,4-dimethylphenyl)methyl]-1-methylpiperazine;dihydrochloride
CID 154574727
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-methylpiperazine
CID 116928006
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875
1-(3H-benzimidazol-5-yl)-N-methyl-1-(1-methylpiperazin-2-yl)methanamine
CID 116956654
1,2-dimethyl-5-[(1-methylpiperazin-2-yl)methyl]indole
CID 116996446
6-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 116925639
1-methyl-2-[(4-pyrrolidin-3-ylphenyl)methyl]piperazine
CID 116988478
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 126451275
6-[2-(1-methylpiperazin-2-yl)ethyl]quinoline
CID 116997360

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole (CID 116928065) is 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole is CN1CCNCC1Cc1ccc2nc[nH]c2c1.
What is the InChIKey of 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole?
The InChIKey is CBXMUYDKLITQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-17-5-4-14-8-11(17)6-10-2-3-12-13(7-10)16-9-15-12/h2-3,7,9,11,14H,4-6,8H2,1H3,(H,15,16).
What are the key properties of 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole?
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 116928065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).