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

C20H22N2O — CID 95148425

IUPAC5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
SMILESC[C@@H](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/t15-/m0/s1
InChIKeyMKLVNJGQFLQXAW-HNNXBMFYSA-N
MW306.41 g/mol
LogP5.21
Rot. Bonds6

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

5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole (PubChem CID 95148425) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
PubChem CID95148425
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
SMILESC[C@@H](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/t15-/m0/s1
InChIKeyMKLVNJGQFLQXAW-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
The IUPAC name of 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole (CID 95148425) is 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole.
What is the SMILES notation for 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
The canonical SMILES for 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole is C[C@@H](CCc1ccco1)n1cnc(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
The InChIKey is MKLVNJGQFLQXAW-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of 5-cyclopropyl-1-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole?
5-cyclopropyl-1-[(2S)-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-[(2S)-4-(furan-2-yl)butan-2-yl]-4-phenylimidazole is sourced from PubChem (CID 95148425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).