6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C18H19N3 — CID 43142626

IUPAC6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCn1c(-c2ccc3c(c2)CCCN3)nc2ccccc21
InChIInChI=1S/C18H19N3/c1-2-21-17-8-4-3-7-16(17)20-18(21)14-9-10-15-13(12-14)6-5-11-19-15/h3-4,7-10,12,19H,2,5-6,11H2,1H3
InChIKeyOGSIJHZOQVDMCG-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.08
Rot. Bonds2

About 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline

6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 43142626) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID43142626
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCn1c(-c2ccc3c(c2)CCCN3)nc2ccccc21
InChIInChI=1S/C18H19N3/c1-2-21-17-8-4-3-7-16(17)20-18(21)14-9-10-15-13(12-14)6-5-11-19-15/h3-4,7-10,12,19H,2,5-6,11H2,1H3
InChIKeyOGSIJHZOQVDMCG-UHFFFAOYSA-N
XLogP4.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 43142626) is 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is CCn1c(-c2ccc3c(c2)CCCN3)nc2ccccc21.
What is the InChIKey of 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is OGSIJHZOQVDMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-21-17-8-4-3-7-16(17)20-18(21)14-9-10-15-13(12-14)6-5-11-19-15/h3-4,7-10,12,19H,2,5-6,11H2,1H3.
What are the key properties of 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 277.37 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 43142626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).