1-ethyl-2-piperidin-4-ylbenzimidazole

C14H19N3 — CID 20983587

IUPAC1-ethyl-2-piperidin-4-ylbenzimidazole
SMILESCCn1c(C2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H19N3/c1-2-17-13-6-4-3-5-12(13)16-14(17)11-7-9-15-10-8-11/h3-6,11,15H,2,7-10H2,1H3
InChIKeyJRQYORFDIBVRRV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.52
Rot. Bonds2

About 1-ethyl-2-piperidin-4-ylbenzimidazole

1-ethyl-2-piperidin-4-ylbenzimidazole (PubChem CID 20983587) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-ethyl-2-piperidin-4-ylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-piperidin-4-ylbenzimidazole
PubChem CID20983587
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-ethyl-2-piperidin-4-ylbenzimidazole
SMILESCCn1c(C2CCNCC2)nc2ccccc21
InChIInChI=1S/C14H19N3/c1-2-17-13-6-4-3-5-12(13)16-14(17)11-7-9-15-10-8-11/h3-6,11,15H,2,7-10H2,1H3
InChIKeyJRQYORFDIBVRRV-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
1-[4-(1-ethylbenzimidazol-2-yl)piperidin-1-yl]-2-methylpropan-2-amine
CID 82167764
1-ethyl-2-piperidin-4-yl-5-propoxybenzimidazole
CID 82335125
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
2-(2,3-dihydro-1H-indol-2-yl)-1-ethylbenzimidazole
CID 43325776
1-ethyl-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17002372
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-ethylbenzimidazole
CID 102892511
4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
CID 82463375
5-ethyl-2-piperidin-4-yl-1-propylbenzimidazole
CID 82333743
1-ethyl-2-(piperazin-1-ylmethyl)benzimidazole
CID 62318122
1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
CID 63030439
1-(piperidin-4-ylmethyl)-2-propylbenzimidazole
CID 82149668

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-piperidin-4-ylbenzimidazole?
The IUPAC name of 1-ethyl-2-piperidin-4-ylbenzimidazole (CID 20983587) is 1-ethyl-2-piperidin-4-ylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-piperidin-4-ylbenzimidazole?
The canonical SMILES for 1-ethyl-2-piperidin-4-ylbenzimidazole is CCn1c(C2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-ethyl-2-piperidin-4-ylbenzimidazole?
The InChIKey is JRQYORFDIBVRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-17-13-6-4-3-5-12(13)16-14(17)11-7-9-15-10-8-11/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-2-piperidin-4-ylbenzimidazole?
1-ethyl-2-piperidin-4-ylbenzimidazole has a molecular weight of 229.33 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-piperidin-4-ylbenzimidazole is sourced from PubChem (CID 20983587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).