2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole

C15H20N2O2 — CID 129362563

IUPAC2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc2c(c1OC)CCC[C@@H]2C1=NCCN1
InChIInChI=1S/C15H20N2O2/c1-18-13-7-6-10-11(14(13)19-2)4-3-5-12(10)15-16-8-9-17-15/h6-7,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyQEGIONMYWKDEML-LBPRGKRZSA-N
MW260.34 g/mol
LogP2.13
Rot. Bonds3

About 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole

2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 129362563) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID129362563
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc2c(c1OC)CCC[C@@H]2C1=NCCN1
InChIInChI=1S/C15H20N2O2/c1-18-13-7-6-10-11(14(13)19-2)4-3-5-12(10)15-16-8-9-17-15/h6-7,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyQEGIONMYWKDEML-LBPRGKRZSA-N
XLogP2.13
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole with MolForge

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Related Compounds

2,3-dibenzoyl-2,3-dihydroxybutanedioic acid;2-(5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 67107795
2-(7-fluoro-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 70434551
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 24739290
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 161447711
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 69119731
6,7-dimethoxy-1-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 83691109
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
1,2-dimethoxy-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-5-ol
CID 23730575
2-(5,6-dimethoxy-3,4-dihydronaphthalen-2-yl)-4,5-dihydro-1H-imidazole
CID 154116753
5,6-dimethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3964850
(NE)-N-[2-(2,3,4-trimethoxyphenyl)cyclohexylidene]hydroxylamine
CID 5380531
methyl 5,6-dimethoxy-2-oxo-3,4-dihydro-1H-naphthalene-1-carboxylate
CID 11311593

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole (CID 129362563) is 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole is COc1ccc2c(c1OC)CCC[C@@H]2C1=NCCN1.
What is the InChIKey of 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is QEGIONMYWKDEML-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-13-7-6-10-11(14(13)19-2)4-3-5-12(10)15-16-8-9-17-15/h6-7,12H,3-5,8-9H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole?
2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 260.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-5,6-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 129362563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).