1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole

C19H24N4S — CID 50973243

IUPAC1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole
SMILESCC(C)Cc1c(-c2ccccc2)ncn1CCSc1nccn1C
InChIInChI=1S/C19H24N4S/c1-15(2)13-17-18(16-7-5-4-6-8-16)21-14-23(17)11-12-24-19-20-9-10-22(19)3/h4-10,14-15H,11-13H2,1-3H3
InChIKeyZIJHAFFREUBLGR-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.27
Rot. Bonds7

About 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole

1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole (PubChem CID 50973243) has the molecular formula C19H24N4S and a molecular weight of 340.50 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole
PubChem CID50973243
Molecular FormulaC19H24N4S
Molecular Weight340.50 g/mol
Exact Mass340.17
IUPAC Name1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole
SMILESCC(C)Cc1c(-c2ccccc2)ncn1CCSc1nccn1C
InChIInChI=1S/C19H24N4S/c1-15(2)13-17-18(16-7-5-4-6-8-16)21-14-23(17)11-12-24-19-20-9-10-22(19)3/h4-10,14-15H,11-13H2,1-3H3
InChIKeyZIJHAFFREUBLGR-UHFFFAOYSA-N
XLogP4.27
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-3-(1-methylimidazol-2-yl)sulfanyl-1-phenylpropan-1-ol
CID 94830596
4-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole
CID 51049955
1-[2-[5-[(2R)-2-methylsulfanylpropyl]-4-phenylimidazol-1-yl]ethyl]piperidine
CID 95142744
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 4171231
1-(4,5-diphenyl-1H-imidazol-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-1-sulfanylpropan-2-ol
CID 57039996
2-[2-(1-methylimidazol-2-yl)sulfanylethoxy]aniline
CID 43174485
1-methyl-2-pent-3-ynylsulfanylimidazole
CID 130645056
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]benzenesulfonamide
CID 51204540
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
2-(1-methylimidazol-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
CID 47095379

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole (CID 50973243) is 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole is CC(C)Cc1c(-c2ccccc2)ncn1CCSc1nccn1C.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole?
The InChIKey is ZIJHAFFREUBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4S/c1-15(2)13-17-18(16-7-5-4-6-8-16)21-14-23(17)11-12-24-19-20-9-10-22(19)3/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole?
1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole has a molecular weight of 340.50 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-(2-methylpropyl)-4-phenylimidazole is sourced from PubChem (CID 50973243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).