6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine

C12H16ClN5 — CID 83018739

IUPAC6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
SMILESCN1CCN(n2c(N)nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C12H16ClN5/c1-16-4-6-17(7-5-16)18-11-8-9(13)2-3-10(11)15-12(18)14/h2-3,8H,4-7H2,1H3,(H2,14,15)
InChIKeyLFPAIUIHNYOLRU-UHFFFAOYSA-N
MW265.75 g/mol
LogP1.16
Rot. Bonds1

About 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine

6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine (PubChem CID 83018739) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
PubChem CID83018739
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
SMILESCN1CCN(n2c(N)nc3ccc(Cl)cc32)CC1
InChIInChI=1S/C12H16ClN5/c1-16-4-6-17(7-5-16)18-11-8-9(13)2-3-10(11)15-12(18)14/h2-3,8H,4-7H2,1H3,(H2,14,15)
InChIKeyLFPAIUIHNYOLRU-UHFFFAOYSA-N
XLogP1.16
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine (CID 83018739) is 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine is CN1CCN(n2c(N)nc3ccc(Cl)cc32)CC1.
What is the InChIKey of 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
The InChIKey is LFPAIUIHNYOLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-16-4-6-17(7-5-16)18-11-8-9(13)2-3-10(11)15-12(18)14/h2-3,8H,4-7H2,1H3,(H2,14,15).
What are the key properties of 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine has a molecular weight of 265.75 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine is sourced from PubChem (CID 83018739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).