2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole

C15H24N4+2 — CID 7425567

IUPAC2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole
SMILESCC[NH+]1CC[NH+](Cc2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C15H22N4/c1-3-18-6-8-19(9-7-18)11-15-16-13-5-4-12(2)10-14(13)17-15/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)/p+2
InChIKeyGPSMDQKDCMRIEO-UHFFFAOYSA-P
MW260.38 g/mol
LogP-0.83
Rot. Bonds3

About 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole

2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole (PubChem CID 7425567) has the molecular formula C15H24N4+2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole
PubChem CID7425567
Molecular FormulaC15H24N4+2
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole
SMILESCC[NH+]1CC[NH+](Cc2nc3ccc(C)cc3[nH]2)CC1
InChIInChI=1S/C15H22N4/c1-3-18-6-8-19(9-7-18)11-15-16-13-5-4-12(2)10-14(13)17-15/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)/p+2
InChIKeyGPSMDQKDCMRIEO-UHFFFAOYSA-P
XLogP-0.83
TPSA37.56 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
6-methyl-2-(pyrrolidin-2-ylmethyl)-1H-benzimidazole
CID 61371342
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethanol
CID 102488846
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2,2,2-trifluoro-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]ethanamine
CID 79257984
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 60978374

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole (CID 7425567) is 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole is CC[NH+]1CC[NH+](Cc2nc3ccc(C)cc3[nH]2)CC1.
What is the InChIKey of 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole?
The InChIKey is GPSMDQKDCMRIEO-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H22N4/c1-3-18-6-8-19(9-7-18)11-15-16-13-5-4-12(2)10-14(13)17-15/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)/p+2.
What are the key properties of 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole?
2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole has a molecular weight of 260.38 g/mol, XLogP of -0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 7425567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).