(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol

C21H28N4OS — CID 50966025

IUPAC(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol
SMILESCCCn1ncc(-c2c(-c3ccccc3)ncn2[C@H](CO)CCSC)c1C
InChIInChI=1S/C21H28N4OS/c1-4-11-25-16(2)19(13-23-25)21-20(17-8-6-5-7-9-17)22-15-24(21)18(14-26)10-12-27-3/h5-9,13,15,18,26H,4,10-12,14H2,1-3H3/t18-/m0/s1
InChIKeyHYWJHPGROAYANF-SFHVURJKSA-N
MW384.55 g/mol
LogP4.42
Rot. Bonds9

About (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol

(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol (PubChem CID 50966025) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol
PubChem CID50966025
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol
SMILESCCCn1ncc(-c2c(-c3ccccc3)ncn2[C@H](CO)CCSC)c1C
InChIInChI=1S/C21H28N4OS/c1-4-11-25-16(2)19(13-23-25)21-20(17-8-6-5-7-9-17)22-15-24(21)18(14-26)10-12-27-3/h5-9,13,15,18,26H,4,10-12,14H2,1-3H3/t18-/m0/s1
InChIKeyHYWJHPGROAYANF-SFHVURJKSA-N
XLogP4.42
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol with MolForge

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Related Compounds

2-ethyl-5-[5-phenyl-3-[(1S)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazol-4-yl]pyrimidine
CID 95136939
4,5-diphenyl-1-propylimidazole
CID 14950648
3-[3-[(2S)-1-methoxybutan-2-yl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95149257
[2-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 66099328
N-methyl-2-(5-methyl-4-phenylpyrazol-1-yl)ethanamine
CID 82512556
2-[5-(1-ethylimidazol-2-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid
CID 70709599
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186
(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol
CID 50952350
2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
CID 66098697
3-[5-phenyl-3-(1-pyrazol-1-ylpropan-2-yl)imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50959268
3-[5-phenyl-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]imidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 95125081
(2R)-2-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylmethoxypropan-1-ol
CID 50974974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol?
The IUPAC name of (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol (CID 50966025) is (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol is CCCn1ncc(-c2c(-c3ccccc3)ncn2[C@H](CO)CCSC)c1C.
What is the InChIKey of (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol?
The InChIKey is HYWJHPGROAYANF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4OS/c1-4-11-25-16(2)19(13-23-25)21-20(17-8-6-5-7-9-17)22-15-24(21)18(14-26)10-12-27-3/h5-9,13,15,18,26H,4,10-12,14H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol?
(2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol has a molecular weight of 384.55 g/mol, XLogP of 4.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[5-(5-methyl-1-propylpyrazol-4-yl)-4-phenylimidazol-1-yl]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 50966025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).