5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole

C17H26N2O — CID 142240558

IUPAC5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole
SMILESCC1C=CC(COCCCc2[nH]cnc2C(C)C)=CC1
InChIInChI=1S/C17H26N2O/c1-13(2)17-16(18-12-19-17)5-4-10-20-11-15-8-6-14(3)7-9-15/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,18,19)
InChIKeyCQVQVNOTMJVPKL-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.00
Rot. Bonds7

About 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole

5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole (PubChem CID 142240558) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole
PubChem CID142240558
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole
SMILESCC1C=CC(COCCCc2[nH]cnc2C(C)C)=CC1
InChIInChI=1S/C17H26N2O/c1-13(2)17-16(18-12-19-17)5-4-10-20-11-15-8-6-14(3)7-9-15/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,18,19)
InChIKeyCQVQVNOTMJVPKL-UHFFFAOYSA-N
XLogP4.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.00
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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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole?
The IUPAC name of 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole (CID 142240558) is 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole?
The canonical SMILES for 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole is CC1C=CC(COCCCc2[nH]cnc2C(C)C)=CC1.
What is the InChIKey of 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole?
The InChIKey is CQVQVNOTMJVPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)17-16(18-12-19-17)5-4-10-20-11-15-8-6-14(3)7-9-15/h6,8-9,12-14H,4-5,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole?
5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole has a molecular weight of 274.41 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(4-methylcyclohexa-1,5-dien-1-yl)methoxy]propyl]-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 142240558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).