(Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol

C15H18N2OSe — CID 102130200

IUPAC(Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol
SMILESCCC(C)(O)/C(=C/[Se]c1ccccc1)n1ccnc1
InChIInChI=1S/C15H18N2OSe/c1-3-15(2,18)14(17-10-9-16-12-17)11-19-13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3/b14-11-
InChIKeySUCBXCRLDRFDNM-KAMYIIQDSA-N
MW321.28 g/mol
LogP1.87
Rot. Bonds5

About (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol

(Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol (PubChem CID 102130200) has the molecular formula C15H18N2OSe and a molecular weight of 321.28 g/mol. Its IUPAC name is (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol
PubChem CID102130200
Molecular FormulaC15H18N2OSe
Molecular Weight321.28 g/mol
Exact Mass322.06
IUPAC Name(Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol
SMILESCCC(C)(O)/C(=C/[Se]c1ccccc1)n1ccnc1
InChIInChI=1S/C15H18N2OSe/c1-3-15(2,18)14(17-10-9-16-12-17)11-19-13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3/b14-11-
InChIKeySUCBXCRLDRFDNM-KAMYIIQDSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-1-phenylselanylhex-1-en-2-yl]imidazole
CID 102130203
1-[(Z)-1-phenyl-2-phenylselanylethenyl]imidazole
CID 102130202
4-hydroxy-3-imidazol-1-yl-4-methylhex-2-enenitrile
CID 23763314
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde
CID 139783535
N-(2-methyl-2-phenylpropyl)imidazole-1-carboxamide
CID 81269387
2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
2-[(Z)-1-imidazol-1-yl-2-propylsulfanylethenyl]phenol
CID 14100243
2-(2-bromophenyl)-1-imidazol-1-yl-2-methylpropan-1-one
CID 13337288
(2R,3S)-1-imidazol-1-yl-3-methyl-2-(tritylamino)pentan-1-one
CID 93010917
1-(3-phenylprop-1-en-2-yl)imidazole
CID 22115010
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
CID 113472607

Frequently Asked Questions

What is the IUPAC name of (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol?
The IUPAC name of (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol (CID 102130200) is (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol is CCC(C)(O)/C(=C/[Se]c1ccccc1)n1ccnc1.
What is the InChIKey of (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol?
The InChIKey is SUCBXCRLDRFDNM-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H18N2OSe/c1-3-15(2,18)14(17-10-9-16-12-17)11-19-13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3/b14-11-.
What are the key properties of (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol?
(Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol has a molecular weight of 321.28 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-imidazol-1-yl-3-methyl-1-phenylselanylpent-1-en-3-ol is sourced from PubChem (CID 102130200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).