1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine

C15H23N5 — CID 63898810

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1CN(C)CCN1C
InChIInChI=1S/C15H23N5/c1-11-17-14-8-12(16)4-5-15(14)20(11)10-13-9-18(2)6-7-19(13)3/h4-5,8,13H,6-7,9-10,16H2,1-3H3
InChIKeyNLJAARGOYUAVGG-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.17
Rot. Bonds2

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine

1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine (PubChem CID 63898810) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine
PubChem CID63898810
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1CN(C)CCN1C
InChIInChI=1S/C15H23N5/c1-11-17-14-8-12(16)4-5-15(14)20(11)10-13-9-18(2)6-7-19(13)3/h4-5,8,13H,6-7,9-10,16H2,1-3H3
InChIKeyNLJAARGOYUAVGG-UHFFFAOYSA-N
XLogP1.17
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
2-methyl-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-5-amine
CID 62506736
2-(chloromethyl)-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazole
CID 63897287
6-bromo-1-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluorobenzimidazol-2-amine
CID 116738353
2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
CID 83024985
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
1-(cyclopropylmethyl)-2-methylbenzimidazole-5-carboxylic acid
CID 43140453
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106376371
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine (CID 63898810) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CC1CN(C)CCN1C.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine?
The InChIKey is NLJAARGOYUAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11-17-14-8-12(16)4-5-15(14)20(11)10-13-9-18(2)6-7-19(13)3/h4-5,8,13H,6-7,9-10,16H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine?
1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 63898810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).