[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol

C16H23N3OS — CID 56879472

IUPAC[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
SMILESCc1ccsc1-c1nccn1CCN1CCCCC1CO
InChIInChI=1S/C16H23N3OS/c1-13-5-11-21-15(13)16-17-6-8-19(16)10-9-18-7-3-2-4-14(18)12-20/h5-6,8,11,14,20H,2-4,7,9-10,12H2,1H3
InChIKeyVPQGAUDZQZQZRM-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.77
Rot. Bonds5

About [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol

[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol (PubChem CID 56879472) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
PubChem CID56879472
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol
SMILESCc1ccsc1-c1nccn1CCN1CCCCC1CO
InChIInChI=1S/C16H23N3OS/c1-13-5-11-21-15(13)16-17-6-8-19(16)10-9-18-7-3-2-4-14(18)12-20/h5-6,8,11,14,20H,2-4,7,9-10,12H2,1H3
InChIKeyVPQGAUDZQZQZRM-UHFFFAOYSA-N
XLogP2.77
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-[(3-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 46994291
(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
1-({5-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-3-thienyl}methyl)piperidine
CID 56745556
(2S)-4-(methylthio)-2-(2-pyridin-4-yl-1H-imidazol-1-yl)butan-1-ol
CID 56871448
2-[4-(pyrrolidin-1-ylmethyl)-2-thienyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-imidazole
CID 56874022
3-{2-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]ethyl}-1,3-oxazinan-2-one
CID 56899674
[1-[6-[Methyl-[(3-methylthiophen-2-yl)methyl]amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 72044485
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-[(3-methyl-2-thienyl)methyl]methanamine
CID 50953248
3-{5-[1-(2-morpholin-4-ylethyl)-1H-imidazol-2-yl]-2-thienyl}prop-2-yn-1-ol
CID 56740108
ethyl 4-[2-(3-methyl-2-thienyl)-1H-imidazol-1-yl]piperidine-1-carboxylate
CID 56866312
{(2S,4R)-4-[2-(5-isobutyl-2-thienyl)-1H-imidazol-1-yl]-1-methylpyrrolidin-2-yl}methanol
CID 70722945
1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2-(3-methylthiophen-2-yl)imidazole
CID 95215257

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol (CID 56879472) is [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol is Cc1ccsc1-c1nccn1CCN1CCCCC1CO.
What is the InChIKey of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
The InChIKey is VPQGAUDZQZQZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-13-5-11-21-15(13)16-17-6-8-19(16)10-9-18-7-3-2-4-14(18)12-20/h5-6,8,11,14,20H,2-4,7,9-10,12H2,1H3.
What are the key properties of [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol?
[1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol has a molecular weight of 305.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(3-methylthiophen-2-yl)imidazol-1-yl]ethyl]piperidin-2-yl]methanol is sourced from PubChem (CID 56879472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).