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

C12H17N5 — CID 83024984

IUPAC1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
SMILESCN1CCN(n2cnc3cc(N)ccc32)CC1
InChIInChI=1S/C12H17N5/c1-15-4-6-16(7-5-15)17-9-14-11-8-10(13)2-3-12(11)17/h2-3,8-9H,4-7,13H2,1H3
InChIKeyIZCVDUFYXRGDET-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.50
Rot. Bonds1

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

1-(4-methylpiperazin-1-yl)benzimidazol-5-amine (PubChem CID 83024984) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
PubChem CID83024984
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1-(4-methylpiperazin-1-yl)benzimidazol-5-amine
SMILESCN1CCN(n2cnc3cc(N)ccc32)CC1
InChIInChI=1S/C12H17N5/c1-15-4-6-16(7-5-15)17-9-14-11-8-10(13)2-3-12(11)17/h2-3,8-9H,4-7,13H2,1H3
InChIKeyIZCVDUFYXRGDET-UHFFFAOYSA-N
XLogP0.50
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.50
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 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
The IUPAC name of 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine (CID 83024984) is 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine is CN1CCN(n2cnc3cc(N)ccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
The InChIKey is IZCVDUFYXRGDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-15-4-6-16(7-5-15)17-9-14-11-8-10(13)2-3-12(11)17/h2-3,8-9H,4-7,13H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine?
1-(4-methylpiperazin-1-yl)benzimidazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)benzimidazol-5-amine is sourced from PubChem (CID 83024984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).