(2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol

C20H24N4OS — CID 50949820

IUPAC(2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol
SMILESCCSc1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H](C)CO)cn1
InChIInChI=1S/C20H24N4OS/c1-3-26-20-21-11-17(12-22-20)19-18(16-7-5-4-6-8-16)23-14-24(19)10-9-15(2)13-25/h4-8,11-12,14-15,25H,3,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyIUBHJAGQYNNBMS-OAHLLOKOSA-N
MW368.51 g/mol
LogP4.14
Rot. Bonds8

About (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol

(2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol (PubChem CID 50949820) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol
PubChem CID50949820
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol
SMILESCCSc1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H](C)CO)cn1
InChIInChI=1S/C20H24N4OS/c1-3-26-20-21-11-17(12-22-20)19-18(16-7-5-4-6-8-16)23-14-24(19)10-9-15(2)13-25/h4-8,11-12,14-15,25H,3,9-10,13H2,1-2H3/t15-/m1/s1
InChIKeyIUBHJAGQYNNBMS-OAHLLOKOSA-N
XLogP4.14
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol (CID 50949820) is (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol is CCSc1ncc(-c2c(-c3ccccc3)ncn2CC[C@@H](C)CO)cn1.
What is the InChIKey of (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol?
The InChIKey is IUBHJAGQYNNBMS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-3-26-20-21-11-17(12-22-20)19-18(16-7-5-4-6-8-16)23-14-24(19)10-9-15(2)13-25/h4-8,11-12,14-15,25H,3,9-10,13H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol?
(2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol has a molecular weight of 368.51 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[5-(2-ethylsulfanylpyrimidin-5-yl)-4-phenylimidazol-1-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 50949820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).