2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole

C14H20N4 — CID 82993712

IUPAC2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
SMILESCn1c(N2CCNC(C)(C)C2)nc2ccccc21
InChIInChI=1S/C14H20N4/c1-14(2)10-18(9-8-15-14)13-16-11-6-4-5-7-12(11)17(13)3/h4-7,15H,8-10H2,1-3H3
InChIKeyCSSAKBSEEBLAEM-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.76
Rot. Bonds1

About 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole

2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole (PubChem CID 82993712) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
PubChem CID82993712
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole
SMILESCn1c(N2CCNC(C)(C)C2)nc2ccccc21
InChIInChI=1S/C14H20N4/c1-14(2)10-18(9-8-15-14)13-16-11-6-4-5-7-12(11)17(13)3/h4-7,15H,8-10H2,1-3H3
InChIKeyCSSAKBSEEBLAEM-UHFFFAOYSA-N
XLogP1.76
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
[1-[4-[2-(3,3-dimethylpiperazin-1-yl)benzimidazol-1-yl]piperidin-1-yl]cyclooctyl]methanol
CID 53316968
1-methyl-2-[(3S)-3-propan-2-ylpiperazin-1-yl]benzimidazole
CID 129391666
3,3-dimethyl-1-(6-methyl-2-pyridinyl)piperazine
CID 82993443
(3S)-3-hydroxy-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 129483783
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
CID 122270125
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
6-methyl-8-(1-methylbenzimidazol-2-yl)-5-oxa-8-azaspiro[3.5]nonane
CID 138001217
2-methyl-1-[4-(1-methylbenzimidazol-2-yl)piperazin-1-yl]propan-2-amine
CID 82167730
[1-(1-methylbenzimidazol-2-yl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166603413
2,2-dimethyl-6-(1-methylbenzimidazol-2-yl)morpholine
CID 65102327
N-methyl-N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclopropanesulfonamide
CID 163349592

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole?
The IUPAC name of 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole (CID 82993712) is 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole?
The canonical SMILES for 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole is Cn1c(N2CCNC(C)(C)C2)nc2ccccc21.
What is the InChIKey of 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole?
The InChIKey is CSSAKBSEEBLAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-14(2)10-18(9-8-15-14)13-16-11-6-4-5-7-12(11)17(13)3/h4-7,15H,8-10H2,1-3H3.
What are the key properties of 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole?
2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpiperazin-1-yl)-1-methylbenzimidazole is sourced from PubChem (CID 82993712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).