5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine

C12H15Cl2N5 — CID 83017965

IUPAC5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
SMILESCN1CCN(n2c(N)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C12H15Cl2N5/c1-17-2-4-18(5-3-17)19-11-7-9(14)8(13)6-10(11)16-12(19)15/h6-7H,2-5H2,1H3,(H2,15,16)
InChIKeyQPGGCHAPMKBUSP-UHFFFAOYSA-N
MW300.19 g/mol
LogP1.81
Rot. Bonds1

About 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine

5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine (PubChem CID 83017965) has the molecular formula C12H15Cl2N5 and a molecular weight of 300.19 g/mol. Its IUPAC name is 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
PubChem CID83017965
Molecular FormulaC12H15Cl2N5
Molecular Weight300.19 g/mol
Exact Mass299.07
IUPAC Name5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine
SMILESCN1CCN(n2c(N)nc3cc(Cl)c(Cl)cc32)CC1
InChIInChI=1S/C12H15Cl2N5/c1-17-2-4-18(5-3-17)19-11-7-9(14)8(13)6-10(11)16-12(19)15/h6-7H,2-5H2,1H3,(H2,15,16)
InChIKeyQPGGCHAPMKBUSP-UHFFFAOYSA-N
XLogP1.81
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine (CID 83017965) is 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine is CN1CCN(n2c(N)nc3cc(Cl)c(Cl)cc32)CC1.
What is the InChIKey of 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
The InChIKey is QPGGCHAPMKBUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5/c1-17-2-4-18(5-3-17)19-11-7-9(14)8(13)6-10(11)16-12(19)15/h6-7H,2-5H2,1H3,(H2,15,16).
What are the key properties of 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine?
5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine has a molecular weight of 300.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-1-(4-methylpiperazin-1-yl)benzimidazol-2-amine is sourced from PubChem (CID 83017965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).