2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole

C21H24N2O2 — CID 91261556

IUPAC2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole
SMILESCCCCOc1ccc(-c2ccco2)c(-c2nccn2CC2CC2)c1
InChIInChI=1S/C21H24N2O2/c1-2-3-12-24-17-8-9-18(20-5-4-13-25-20)19(14-17)21-22-10-11-23(21)15-16-6-7-16/h4-5,8-11,13-14,16H,2-3,6-7,12,15H2,1H3
InChIKeyZLOZGGRPBDETAB-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.40
Rot. Bonds8

About 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole

2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole (PubChem CID 91261556) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole.

Molecular Properties

Compound Name2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole
PubChem CID91261556
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole
SMILESCCCCOc1ccc(-c2ccco2)c(-c2nccn2CC2CC2)c1
InChIInChI=1S/C21H24N2O2/c1-2-3-12-24-17-8-9-18(20-5-4-13-25-20)19(14-17)21-22-10-11-23(21)15-16-6-7-16/h4-5,8-11,13-14,16H,2-3,6-7,12,15H2,1H3
InChIKeyZLOZGGRPBDETAB-UHFFFAOYSA-N
XLogP5.40
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]imidazole
CID 56918946
3-(furan-2-yl)-5-[[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 91842285
1-[2-[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]ethyl]-4-methyltriazole
CID 70750809
cis-(1R,3S)-3-[[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154567236
2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 23025780
5-hexoxy-2-benzofuran-1,3-dione
CID 88840475
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
3-[[2-[2-(furan-2-yl)phenyl]imidazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 70746811
1-(2-butoxyethyl)-2-methylimidazole
CID 63810504
2-(4-butyl-2-methylphenyl)furan
CID 168524679
2-[2-(furan-2-yl)phenyl]-1-(thiolan-3-yl)imidazole
CID 56907677
2-butyl-5-[1-(cyclopentylmethyl)imidazol-2-yl]-1H-imidazole
CID 165419010

Frequently Asked Questions

What is the IUPAC name of 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole?
The IUPAC name of 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole (CID 91261556) is 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole.
What is the SMILES notation for 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole?
The canonical SMILES for 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole is CCCCOc1ccc(-c2ccco2)c(-c2nccn2CC2CC2)c1.
What is the InChIKey of 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole?
The InChIKey is ZLOZGGRPBDETAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-3-12-24-17-8-9-18(20-5-4-13-25-20)19(14-17)21-22-10-11-23(21)15-16-6-7-16/h4-5,8-11,13-14,16H,2-3,6-7,12,15H2,1H3.
What are the key properties of 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole?
2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole has a molecular weight of 336.44 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-butoxy-2-(furan-2-yl)phenyl]-1-(cyclopropylmethyl)imidazole is sourced from PubChem (CID 91261556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).