4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole

C14H20N4 — CID 70082198

IUPAC4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1ccc2[nH]c(N3CCN(C)CC3)nc2c1C
InChIInChI=1S/C14H20N4/c1-10-4-5-12-13(11(10)2)16-14(15-12)18-8-6-17(3)7-9-18/h4-5H,6-9H2,1-3H3,(H,15,16)
InChIKeySFNSIIIFJSGCCU-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.93
Rot. Bonds1

About 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole

4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 70082198) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID70082198
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1ccc2[nH]c(N3CCN(C)CC3)nc2c1C
InChIInChI=1S/C14H20N4/c1-10-4-5-12-13(11(10)2)16-14(15-12)18-8-6-17(3)7-9-18/h4-5H,6-9H2,1-3H3,(H,15,16)
InChIKeySFNSIIIFJSGCCU-UHFFFAOYSA-N
XLogP1.93
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 70082198) is 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole is Cc1ccc2[nH]c(N3CCN(C)CC3)nc2c1C.
What is the InChIKey of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is SFNSIIIFJSGCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-4-5-12-13(11(10)2)16-14(15-12)18-8-6-17(3)7-9-18/h4-5H,6-9H2,1-3H3,(H,15,16).
What are the key properties of 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole?
4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 70082198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).