3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol

C22H33N3O — CID 67785073

IUPAC3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol
SMILESCCCCc1nc(C)c(O)n1Cc1ccc(C(CN)C2CCCC2)cc1
InChIInChI=1S/C22H33N3O/c1-3-4-9-21-24-16(2)22(26)25(21)15-17-10-12-19(13-11-17)20(14-23)18-7-5-6-8-18/h10-13,18,20,26H,3-9,14-15,23H2,1-2H3
InChIKeyOXAFVDRSWXDAED-UHFFFAOYSA-N
MW355.53 g/mol
LogP4.52
Rot. Bonds8

About 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol

3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol (PubChem CID 67785073) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol.

Molecular Properties

Compound Name3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol
PubChem CID67785073
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol
SMILESCCCCc1nc(C)c(O)n1Cc1ccc(C(CN)C2CCCC2)cc1
InChIInChI=1S/C22H33N3O/c1-3-4-9-21-24-16(2)22(26)25(21)15-17-10-12-19(13-11-17)20(14-23)18-7-5-6-8-18/h10-13,18,20,26H,3-9,14-15,23H2,1-2H3
InChIKeyOXAFVDRSWXDAED-UHFFFAOYSA-N
XLogP4.52
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol?
The IUPAC name of 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol (CID 67785073) is 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol.
What is the SMILES notation for 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol?
The canonical SMILES for 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol is CCCCc1nc(C)c(O)n1Cc1ccc(C(CN)C2CCCC2)cc1.
What is the InChIKey of 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol?
The InChIKey is OXAFVDRSWXDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-3-4-9-21-24-16(2)22(26)25(21)15-17-10-12-19(13-11-17)20(14-23)18-7-5-6-8-18/h10-13,18,20,26H,3-9,14-15,23H2,1-2H3.
What are the key properties of 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol?
3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol has a molecular weight of 355.53 g/mol, XLogP of 4.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-amino-1-cyclopentylethyl)phenyl]methyl]-2-butyl-5-methylimidazol-4-ol is sourced from PubChem (CID 67785073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).