(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole

C18H28N2O — CID 124676704

IUPAC(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCOc1ccc(C2=NC[C@@H](C)N2)cc1
InChIInChI=1S/C18H28N2O/c1-3-4-5-6-7-8-13-21-17-11-9-16(10-12-17)18-19-14-15(2)20-18/h9-12,15H,3-8,13-14H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyNSDPJMVLOOOXAX-OAHLLOKOSA-N
MW288.43 g/mol
LogP4.16
Rot. Bonds9

About (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole

(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 124676704) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID124676704
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCCCCOc1ccc(C2=NC[C@@H](C)N2)cc1
InChIInChI=1S/C18H28N2O/c1-3-4-5-6-7-8-13-21-17-11-9-16(10-12-17)18-19-14-15(2)20-18/h9-12,15H,3-8,13-14H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyNSDPJMVLOOOXAX-OAHLLOKOSA-N
XLogP4.16
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.16
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

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CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
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2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110540504
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
5-heptoxy-2-(4-octoxyphenyl)pyrimidine
CID 14794369
1,4-dipentoxybenzene
CID 18314717
5-(4-butoxybutoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 54363602
5-(7-cyclopropylheptoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474619
5-(7-cyclopropylheptoxy)-2-(4-nonoxyphenyl)pyrimidine
CID 14474617
5-(8-cyclopropyloctoxy)-2-(4-dodecoxyphenyl)pyrimidine
CID 14474626

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole (CID 124676704) is (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole is CCCCCCCCOc1ccc(C2=NC[C@@H](C)N2)cc1.
What is the InChIKey of (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is NSDPJMVLOOOXAX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-4-5-6-7-8-13-21-17-11-9-16(10-12-17)18-19-14-15(2)20-18/h9-12,15H,3-8,13-14H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole?
(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 288.43 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 124676704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).