[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol

C12H16N2OS — CID 19831112

IUPAC[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol
SMILESCCCC(c1ccc(CO)s1)n1ccnc1
InChIInChI=1S/C12H16N2OS/c1-2-3-11(14-7-6-13-9-14)12-5-4-10(8-15)16-12/h4-7,9,11,15H,2-3,8H2,1H3
InChIKeyMLUITBUSLGXDHJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.83
Rot. Bonds5

About [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol

[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol (PubChem CID 19831112) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol
PubChem CID19831112
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol
SMILESCCCC(c1ccc(CO)s1)n1ccnc1
InChIInChI=1S/C12H16N2OS/c1-2-3-11(14-7-6-13-9-14)12-5-4-10(8-15)16-12/h4-7,9,11,15H,2-3,8H2,1H3
InChIKeyMLUITBUSLGXDHJ-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol (CID 19831112) is [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol is CCCC(c1ccc(CO)s1)n1ccnc1.
What is the InChIKey of [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol?
The InChIKey is MLUITBUSLGXDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-2-3-11(14-7-6-13-9-14)12-5-4-10(8-15)16-12/h4-7,9,11,15H,2-3,8H2,1H3.
What are the key properties of [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol?
[5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol has a molecular weight of 236.34 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-imidazol-1-ylbutyl)thiophen-2-yl]methanol is sourced from PubChem (CID 19831112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).