1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole

C14H20N4 — CID 62318122

IUPAC1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
SMILESCCn1c(CN2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H20N4/c1-2-18-13-6-4-3-5-12(13)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3
InChIKeyWPVHLPRZACUBBL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.46
Rot. Bonds3

About 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole

1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole (PubChem CID 62318122) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
PubChem CID62318122
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
SMILESCCn1c(CN2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H20N4/c1-2-18-13-6-4-3-5-12(13)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3
InChIKeyWPVHLPRZACUBBL-UHFFFAOYSA-N
XLogP1.46
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(piperazin-1-ylmethyl)-1-(2,2,2-trifluoroethyl)benzimidazole
CID 62389155
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474
3-ethyl-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 63757473
2-(1,4-diazepan-1-ylmethyl)-1-(2-methoxyethyl)benzimidazole
CID 62823945
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-(1,4-diazepan-1-ylmethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 58780378
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
1-(2-ethylbenzimidazol-1-yl)-3-piperazin-1-ylpropan-2-ol
CID 65449453
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
5-methyl-2-(piperazin-1-ylmethyl)-1-propylbenzimidazole
CID 62316185
1-ethyl-2-[(3-pyrrolidin-1-ylpiperidin-1-yl)methyl]benzimidazole
CID 45204631

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole?
The IUPAC name of 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole (CID 62318122) is 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole.
What is the SMILES notation for 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole?
The canonical SMILES for 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole is CCn1c(CN2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole?
The InChIKey is WPVHLPRZACUBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-18-13-6-4-3-5-12(13)16-14(18)11-17-9-7-15-8-10-17/h3-6,15H,2,7-11H2,1H3.
What are the key properties of 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole?
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole is sourced from PubChem (CID 62318122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).