2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole

C14H20N2O — CID 110540504

IUPAC2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C14H20N2O/c1-2-3-4-11-17-13-7-5-12(6-8-13)14-15-9-10-16-14/h5-8H,2-4,9-11H2,1H3,(H,15,16)
InChIKeyBOGISOHFBIEWSW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.61
Rot. Bonds6

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

2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 110540504) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
PubChem CID110540504
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole
SMILESCCCCCOc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C14H20N2O/c1-2-3-4-11-17-13-7-5-12(6-8-13)14-15-9-10-16-14/h5-8H,2-4,9-11H2,1H3,(H,15,16)
InChIKeyBOGISOHFBIEWSW-UHFFFAOYSA-N
XLogP2.61
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.61
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

2-[4-(2-methoxyethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82242139
2-[4-[5-[4-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)phenoxy]pentoxy]phenyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 127041641
2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 11574302
2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11318412
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580
2-[4-[6-[4-(1-benzofuran-2-yl)phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 141119932
(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole
CID 124676704
2-[4-[3-[4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]propoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11306162
4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
1,4-dipentoxybenzene
CID 18314717

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole (CID 110540504) is 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole is CCCCCOc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is BOGISOHFBIEWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-3-4-11-17-13-7-5-12(6-8-13)14-15-9-10-16-14/h5-8H,2-4,9-11H2,1H3,(H,15,16).
What are the key properties of 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole?
2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 232.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentoxyphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 110540504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).