2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

C13H15ClN2 — CID 24739290

IUPAC2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESClc1cccc2c1CCCC2C1=NCCN1
InChIInChI=1S/C13H15ClN2/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-15-7-8-16-13/h2-3,6,11H,1,4-5,7-8H2,(H,15,16)
InChIKeyCVGMYNQLGDAQSQ-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.76
Rot. Bonds1

About 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole

2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 24739290) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID24739290
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESClc1cccc2c1CCCC2C1=NCCN1
InChIInChI=1S/C13H15ClN2/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-15-7-8-16-13/h2-3,6,11H,1,4-5,7-8H2,(H,15,16)
InChIKeyCVGMYNQLGDAQSQ-UHFFFAOYSA-N
XLogP2.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole (CID 24739290) is 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is Clc1cccc2c1CCCC2C1=NCCN1.
What is the InChIKey of 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is CVGMYNQLGDAQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c14-12-6-2-3-9-10(12)4-1-5-11(9)13-15-7-8-16-13/h2-3,6,11H,1,4-5,7-8H2,(H,15,16).
What are the key properties of 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 234.73 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24739290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).