2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole

C17H20N2O — CID 71369846

IUPAC2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESCCCCOc1ccc(C2=NCCN2)c2ccccc12
InChIInChI=1S/C17H20N2O/c1-2-3-12-20-16-9-8-15(17-18-10-11-19-17)13-6-4-5-7-14(13)16/h4-9H,2-3,10-12H2,1H3,(H,18,19)
InChIKeyCROYDTFZFJIJNQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.37
Rot. Bonds5

About 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole

2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 71369846) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID71369846
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
SMILESCCCCOc1ccc(C2=NCCN2)c2ccccc12
InChIInChI=1S/C17H20N2O/c1-2-3-12-20-16-9-8-15(17-18-10-11-19-17)13-6-4-5-7-14(13)16/h4-9H,2-3,10-12H2,1H3,(H,18,19)
InChIKeyCROYDTFZFJIJNQ-UHFFFAOYSA-N
XLogP3.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Bunamidine Hydrochloride
CID 13985
Bunamidine
CID 13986
1,3-Di(4-imidazolinophenoxyl)propane
CID 122669
1,3-Bis[(4-imidazolinophenoxy)methyl]benzene
CID 9870550
2,2'-[1,4-Phenylenebis(methyleneoxy-4,1-phenylene)]di(4,5-dihydro-1H-imidazole)
CID 10224330
2-(4-phenoxyphenyl)-4,5-dihydro-1H-imidazole
CID 17774026
(4R,5S)-2,4,5-tris(4-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 5147150
2-[3-[[2-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 44225924
2-[4-[[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 44226132
2-(6-methoxynaphthalen-2-yl)-4,5-dihydro-1H-imidazole
CID 44269069
2-(1,2-dihydrobenzo[e][1]benzofuran-2-yl)-4,5-dihydro-1H-imidazole
CID 44269115
2-(4-Propoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 71369845

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole (CID 71369846) is 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole is CCCCOc1ccc(C2=NCCN2)c2ccccc12.
What is the InChIKey of 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is CROYDTFZFJIJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-3-12-20-16-9-8-15(17-18-10-11-19-17)13-6-4-5-7-14(13)16/h4-9H,2-3,10-12H2,1H3,(H,18,19).
What are the key properties of 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole?
2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 268.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 71369846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).