1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole

C14H20N4 — CID 116829283

IUPAC1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole
SMILESCc1nc2cc(C3NCCNC3C)ccc2n1C
InChIInChI=1S/C14H20N4/c1-9-14(16-7-6-15-9)11-4-5-13-12(8-11)17-10(2)18(13)3/h4-5,8-9,14-16H,6-7H2,1-3H3
InChIKeyXIUMTGOERARZEJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.50
Rot. Bonds1

About 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole

1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole (PubChem CID 116829283) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole
PubChem CID116829283
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole
SMILESCc1nc2cc(C3NCCNC3C)ccc2n1C
InChIInChI=1S/C14H20N4/c1-9-14(16-7-6-15-9)11-4-5-13-12(8-11)17-10(2)18(13)3/h4-5,8-9,14-16H,6-7H2,1-3H3
InChIKeyXIUMTGOERARZEJ-UHFFFAOYSA-N
XLogP1.50
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole?
The IUPAC name of 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole (CID 116829283) is 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole.
What is the SMILES notation for 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole?
The canonical SMILES for 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole is Cc1nc2cc(C3NCCNC3C)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole?
The InChIKey is XIUMTGOERARZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-9-14(16-7-6-15-9)11-4-5-13-12(8-11)17-10(2)18(13)3/h4-5,8-9,14-16H,6-7H2,1-3H3.
What are the key properties of 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole?
1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(3-methylpiperazin-2-yl)benzimidazole is sourced from PubChem (CID 116829283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).