[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

C22H27N3OS — CID 95143517

IUPAC[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESCc1ccsc1-c1c(-c2ccccc2)ncn1CCN1CCC[C@H](CO)C1
InChIInChI=1S/C22H27N3OS/c1-17-9-13-27-22(17)21-20(19-7-3-2-4-8-19)23-16-25(21)12-11-24-10-5-6-18(14-24)15-26/h2-4,7-9,13,16,18,26H,5-6,10-12,14-15H2,1H3/t18-/m0/s1
InChIKeyUYZQXVZEHJOKPG-SFHVURJKSA-N
MW381.55 g/mol
LogP4.29
Rot. Bonds6

About [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol (PubChem CID 95143517) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
PubChem CID95143517
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
SMILESCc1ccsc1-c1c(-c2ccccc2)ncn1CCN1CCC[C@H](CO)C1
InChIInChI=1S/C22H27N3OS/c1-17-9-13-27-22(17)21-20(19-7-3-2-4-8-19)23-16-25(21)12-11-24-10-5-6-18(14-24)15-26/h2-4,7-9,13,16,18,26H,5-6,10-12,14-15H2,1H3/t18-/m0/s1
InChIKeyUYZQXVZEHJOKPG-SFHVURJKSA-N
XLogP4.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol (CID 95143517) is [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol is Cc1ccsc1-c1c(-c2ccccc2)ncn1CCN1CCC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
The InChIKey is UYZQXVZEHJOKPG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-17-9-13-27-22(17)21-20(19-7-3-2-4-8-19)23-16-25(21)12-11-24-10-5-6-18(14-24)15-26/h2-4,7-9,13,16,18,26H,5-6,10-12,14-15H2,1H3/t18-/m0/s1.
What are the key properties of [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol has a molecular weight of 381.55 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 95143517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).