5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole

C20H22N2O — CID 50984585

IUPAC5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
SMILESCC(CCc1ccco1)n1cnc(-c2ccccc2)c1C1CC1
InChIInChI=1S/C20H22N2O/c1-15(9-12-18-8-5-13-23-18)22-14-21-19(20(22)17-10-11-17)16-6-3-2-4-7-16/h2-8,13-15,17H,9-12H2,1H3
InChIKeyMKLVNJGQFLQXAW-UHFFFAOYSA-N
MW306.41 g/mol
LogP5.21
Rot. Bonds6

About 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole

5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole (PubChem CID 50984585) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
PubChem CID50984585
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
SMILESCC(CCc1ccco1)n1cnc(-c2ccccc2)c1C1CC1
InChIInChI=1S/C20H22N2O/c1-15(9-12-18-8-5-13-23-18)22-14-21-19(20(22)17-10-11-17)16-6-3-2-4-7-16/h2-8,13-15,17H,9-12H2,1H3
InChIKeyMKLVNJGQFLQXAW-UHFFFAOYSA-N
XLogP5.21
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
CID 95148425
4-[3-[(2S)-4-(furan-2-yl)butan-2-yl]-5-phenylimidazol-4-yl]-1,3,5-trimethylpyrazole
CID 95121622
1-[4-(furan-2-yl)butan-2-yl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942681
2-[4-(furan-2-yl)butan-2-yl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926095
3-cyclohexyl-1-[4-(furan-2-yl)butan-2-yl]piperazine
CID 64953713
1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
N-[4-(furan-2-yl)butan-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 18162415
5-ethyl-1-[4-(furan-2-yl)butan-2-yl]-2-methylpiperazine
CID 64947660
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
CID 80962005
2-(3-methylhexyl)furan
CID 12840321

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
The IUPAC name of 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole (CID 50984585) is 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole.
What is the SMILES notation for 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
The canonical SMILES for 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole is CC(CCc1ccco1)n1cnc(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
The InChIKey is MKLVNJGQFLQXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15(9-12-18-8-5-13-23-18)22-14-21-19(20(22)17-10-11-17)16-6-3-2-4-7-16/h2-8,13-15,17H,9-12H2,1H3.
What are the key properties of 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole has a molecular weight of 306.41 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole is sourced from PubChem (CID 50984585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).