8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline

C12H13N3 — CID 102969938

IUPAC8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(-c3ncc[nH]3)c1)NCCC2
InChIInChI=1S/C12H13N3/c1-3-9-4-2-6-13-11(9)10(5-1)12-14-7-8-15-12/h1,3,5,7-8,13H,2,4,6H2,(H,14,15)
InChIKeyCCASHODVLFJCRY-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.43
Rot. Bonds1

About 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline

8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 102969938) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID102969938
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(c(-c3ncc[nH]3)c1)NCCC2
InChIInChI=1S/C12H13N3/c1-3-9-4-2-6-13-11(9)10(5-1)12-14-7-8-15-12/h1,3,5,7-8,13H,2,4,6H2,(H,14,15)
InChIKeyCCASHODVLFJCRY-UHFFFAOYSA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydroquinoline-8-thiol
CID 71358239
8-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106781756
8-(4-ethoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224095
1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
CID 71711078
2-(3-fluoro-2-methylphenyl)-1H-imidazole
CID 55254600
8-(2-fluoro-4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 115505142
8-(4-propoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 81224011
2-(1H-imidazol-2-yl)phenolate
CID 132599402
8-[3-(2-methylbutan-2-yl)imidazol-4-yl]-1,2,3,4-tetrahydroquinoline
CID 114717316
3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2,3,4-tetrahydroquinoline
CID 81230536
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631

Frequently Asked Questions

What is the IUPAC name of 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline (CID 102969938) is 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline is c1cc2c(c(-c3ncc[nH]3)c1)NCCC2.
What is the InChIKey of 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is CCASHODVLFJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-9-4-2-6-13-11(9)10(5-1)12-14-7-8-15-12/h1,3,5,7-8,13H,2,4,6H2,(H,14,15).
What are the key properties of 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline?
8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 199.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1H-imidazol-2-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 102969938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).