2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine

C13H19N5 — CID 83024985

IUPAC2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1N1CCN(C)CC1
InChIInChI=1S/C13H19N5/c1-10-15-12-9-11(14)3-4-13(12)18(10)17-7-5-16(2)6-8-17/h3-4,9H,5-8,14H2,1-2H3
InChIKeyYMJZVQVASTWSJB-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.81
Rot. Bonds1

About 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine

2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine (PubChem CID 83024985) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
PubChem CID83024985
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1N1CCN(C)CC1
InChIInChI=1S/C13H19N5/c1-10-15-12-9-11(14)3-4-13(12)18(10)17-7-5-16(2)6-8-17/h3-4,9H,5-8,14H2,1-2H3
InChIKeyYMJZVQVASTWSJB-UHFFFAOYSA-N
XLogP0.81
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine (CID 83024985) is 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1N1CCN(C)CC1.
What is the InChIKey of 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
The InChIKey is YMJZVQVASTWSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-15-12-9-11(14)3-4-13(12)18(10)17-7-5-16(2)6-8-17/h3-4,9H,5-8,14H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine has a molecular weight of 245.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylpiperazin-1-yl)benzimidazol-5-amine is sourced from PubChem (CID 83024985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).