5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole

C15H20N2OS — CID 10850088

IUPAC5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
SMILESO=S(CCCc1ccccc1)CCCc1cnc[nH]1
InChIInChI=1S/C15H20N2OS/c18-19(11-5-9-15-12-16-13-17-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,16,17)
InChIKeyCZVZDHMVJPCBJJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.72
Rot. Bonds8

About 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole

5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole (PubChem CID 10850088) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
PubChem CID10850088
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
SMILESO=S(CCCc1ccccc1)CCCc1cnc[nH]1
InChIInChI=1S/C15H20N2OS/c18-19(11-5-9-15-12-16-13-17-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,16,17)
InChIKeyCZVZDHMVJPCBJJ-UHFFFAOYSA-N
XLogP2.72
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
4-(4-phenylbutylsulfinyl)butylbenzene
CID 66797089
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
CID 10567715
1-(1H-imidazol-5-ylmethyl)-4-(3-phenylpropyl)-1,4-diazepane
CID 56917910
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
2-[(R)-4-phenylbutylsulfinyl]acetic acid
CID 124595116
4-(3-phenylpropylsulfinyl)-2H-triazole
CID 134093971

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole?
The IUPAC name of 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole (CID 10850088) is 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole?
The canonical SMILES for 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole is O=S(CCCc1ccccc1)CCCc1cnc[nH]1.
What is the InChIKey of 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole?
The InChIKey is CZVZDHMVJPCBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-19(11-5-9-15-12-16-13-17-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12-13H,4-5,8-11H2,(H,16,17).
What are the key properties of 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole?
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole has a molecular weight of 276.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole is sourced from PubChem (CID 10850088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).