2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol

C16H23N3O — CID 64810293

IUPAC2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol
SMILESCCNC(C)(CO)CCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-18-16(2,13-20)9-11-19-12-10-17-15(19)14-7-5-4-6-8-14/h4-8,10,12,18,20H,3,9,11,13H2,1-2H3
InChIKeyBGYGLNSTTVALTO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.30
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol

2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol (PubChem CID 64810293) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol
PubChem CID64810293
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol
SMILESCCNC(C)(CO)CCn1ccnc1-c1ccccc1
InChIInChI=1S/C16H23N3O/c1-3-18-16(2,13-20)9-11-19-12-10-17-15(19)14-7-5-4-6-8-14/h4-8,10,12,18,20H,3,9,11,13H2,1-2H3
InChIKeyBGYGLNSTTVALTO-UHFFFAOYSA-N
XLogP2.30
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol (CID 64810293) is 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol is CCNC(C)(CO)CCn1ccnc1-c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol?
The InChIKey is BGYGLNSTTVALTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-18-16(2,13-20)9-11-19-12-10-17-15(19)14-7-5-4-6-8-14/h4-8,10,12,18,20H,3,9,11,13H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol?
2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-(2-phenylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 64810293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).