6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole

C14H15N3 — CID 141111290

IUPAC6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole
SMILESCCn1cnc2ccc(C3=CCN=CC3)cc21
InChIInChI=1S/C14H15N3/c1-2-17-10-16-13-4-3-12(9-14(13)17)11-5-7-15-8-6-11/h3-5,8-10H,2,6-7H2,1H3
InChIKeyKLSMSMCQHNKICU-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.91
Rot. Bonds2

About 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole

6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole (PubChem CID 141111290) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole.

Molecular Properties

Compound Name6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole
PubChem CID141111290
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole
SMILESCCn1cnc2ccc(C3=CCN=CC3)cc21
InChIInChI=1S/C14H15N3/c1-2-17-10-16-13-4-3-12(9-14(13)17)11-5-7-15-8-6-11/h3-5,8-10H,2,6-7H2,1H3
InChIKeyKLSMSMCQHNKICU-UHFFFAOYSA-N
XLogP2.91
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole?
The IUPAC name of 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole (CID 141111290) is 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole.
What is the SMILES notation for 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole?
The canonical SMILES for 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole is CCn1cnc2ccc(C3=CCN=CC3)cc21.
What is the InChIKey of 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole?
The InChIKey is KLSMSMCQHNKICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-17-10-16-13-4-3-12(9-14(13)17)11-5-7-15-8-6-11/h3-5,8-10H,2,6-7H2,1H3.
What are the key properties of 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole?
6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole has a molecular weight of 225.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydropyridin-4-yl)-1-ethylbenzimidazole is sourced from PubChem (CID 141111290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).