2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole

C16H22N2O — CID 22130955

IUPAC2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(CCCOCc2ccccc2)[nH]1
InChIInChI=1S/C16H22N2O/c1-13(2)15-11-17-16(18-15)9-6-10-19-12-14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,17,18)
InChIKeyLKSDZHBUKHCDDS-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.68
Rot. Bonds7

About 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole

2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole (PubChem CID 22130955) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole
PubChem CID22130955
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(CCCOCc2ccccc2)[nH]1
InChIInChI=1S/C16H22N2O/c1-13(2)15-11-17-16(18-15)9-6-10-19-12-14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,17,18)
InChIKeyLKSDZHBUKHCDDS-UHFFFAOYSA-N
XLogP3.68
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Proxyfan
CID 6421522
Iodoproxyfan
CID 132937
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazine
CID 24825522
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825510
2-[4-(1H-imidazol-4-ylmethyl)phenyl]-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CID 24825519
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-3-oxa-1-azaspiro[4.4]non-1-ene
CID 24825523
2-[3-(1H-imidazol-4-ylmethyl)phenyl]-1-oxa-3-azaspiro[4.5]dec-2-ene
CID 24825524
4-(cyclohexylmethyl)-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825525
(4R)-4-benzyl-2-[3-(1H-imidazol-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 24825526
4-[3-(4-Bromobenzyloxy)propyl]-1H-imidazole
CID 6421294
5-[3-[bis(4-fluorophenyl)methoxy]propyl]-1H-imidazole
CID 6603881

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole (CID 22130955) is 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole is CC(C)c1cnc(CCCOCc2ccccc2)[nH]1.
What is the InChIKey of 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole?
The InChIKey is LKSDZHBUKHCDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)15-11-17-16(18-15)9-6-10-19-12-14-7-4-3-5-8-14/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole?
2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylmethoxypropyl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 22130955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).