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

C27H33ClN4O — CID 161447711

IUPAC2-(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
SMILESCOc1ccc2c(c1)C(C1=NCCN1)CCC2.Clc1cccc2c1CCCC2C1=NCCN1
InChIInChI=1S/C14H18N2O.C13H15ClN2/c1-17-11-6-5-10-3-2-4-12(13(10)9-11)14-15-7-8-16-14;14-12-6-2-3-9-10(12)4-1-5-11(9)13-15-7-8-16-13/h5-6,9,12H,2-4,7-8H2,1H3,(H,15,16);2-3,6,11H,1,4-5,7-8H2,(H,15,16)
InChIKeyWACNCKCARDEWAZ-UHFFFAOYSA-N
MW465.04 g/mol
LogP4.88
Rot. Bonds3

About 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

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 (PubChem CID 161447711) has the molecular formula C27H33ClN4O and a molecular weight of 465.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID161447711
Molecular FormulaC27H33ClN4O
Molecular Weight465.04 g/mol
Exact Mass464.23
IUPAC Name2-(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
SMILESCOc1ccc2c(c1)C(C1=NCCN1)CCC2.Clc1cccc2c1CCCC2C1=NCCN1
InChIInChI=1S/C14H18N2O.C13H15ClN2/c1-17-11-6-5-10-3-2-4-12(13(10)9-11)14-15-7-8-16-14;14-12-6-2-3-9-10(12)4-1-5-11(9)13-15-7-8-16-13/h5-6,9,12H,2-4,7-8H2,1H3,(H,15,16);2-3,6,11H,1,4-5,7-8H2,(H,15,16)
InChIKeyWACNCKCARDEWAZ-UHFFFAOYSA-N
XLogP4.88
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
2-(5-chloro-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 24739290
imino(dioxido)azanium;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 22388703
1-(4-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalene
CID 138972518
(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71756873
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
(2S,7S)-14-methoxy-3-oxa-6-azatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene
CID 3068861
2-(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole
CID 13102406
2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethylazanium chloride
CID 175673500
1-(3,4-dichlorophenyl)-7-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 91180485
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
2-methoxy-8-methyl-6,6a,7,12a-tetrahydro-5H-benzo[c]phenoxazine
CID 114287478

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc2c(c1)C(C1=NCCN1)CCC2.Clc1cccc2c1CCCC2C1=NCCN1.
What is the InChIKey of 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?
The InChIKey is WACNCKCARDEWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.C13H15ClN2/c1-17-11-6-5-10-3-2-4-12(13(10)9-11)14-15-7-8-16-14;14-12-6-2-3-9-10(12)4-1-5-11(9)13-15-7-8-16-13/h5-6,9,12H,2-4,7-8H2,1H3,(H,15,16);2-3,6,11H,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-(7-methoxy-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;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 465.04 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 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;2-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 161447711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).