5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole

C21H32N2 — CID 141219819

IUPAC5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole
SMILESC1CCC(c2nc(C3CCCC3)n(C3CC3)c2C2CCC2)CC1
InChIInChI=1S/C21H32N2/c1-2-7-15(8-3-1)19-20(16-11-6-12-16)23(18-13-14-18)21(22-19)17-9-4-5-10-17/h15-18H,1-14H2
InChIKeySAHMLKYZLNBCMI-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.19
Rot. Bonds4

About 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole

5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole (PubChem CID 141219819) has the molecular formula C21H32N2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole.

Molecular Properties

Compound Name5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole
PubChem CID141219819
Molecular FormulaC21H32N2
Molecular Weight312.50 g/mol
Exact Mass312.26
IUPAC Name5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole
SMILESC1CCC(c2nc(C3CCCC3)n(C3CC3)c2C2CCC2)CC1
InChIInChI=1S/C21H32N2/c1-2-7-15(8-3-1)19-20(16-11-6-12-16)23(18-13-14-18)21(22-19)17-9-4-5-10-17/h15-18H,1-14H2
InChIKeySAHMLKYZLNBCMI-UHFFFAOYSA-N
XLogP6.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole?
The IUPAC name of 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole (CID 141219819) is 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole.
What is the SMILES notation for 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole?
The canonical SMILES for 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole is C1CCC(c2nc(C3CCCC3)n(C3CC3)c2C2CCC2)CC1.
What is the InChIKey of 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole?
The InChIKey is SAHMLKYZLNBCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2/c1-2-7-15(8-3-1)19-20(16-11-6-12-16)23(18-13-14-18)21(22-19)17-9-4-5-10-17/h15-18H,1-14H2.
What are the key properties of 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole?
5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole has a molecular weight of 312.50 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-4-cyclohexyl-2-cyclopentyl-1-cyclopropylimidazole is sourced from PubChem (CID 141219819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).