4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol

C13H19N3OS — CID 106840967

IUPAC4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
SMILESCn1ccnc1C(NCCCCO)c1cccs1
InChIInChI=1S/C13H19N3OS/c1-16-8-7-15-13(16)12(11-5-4-10-18-11)14-6-2-3-9-17/h4-5,7-8,10,12,14,17H,2-3,6,9H2,1H3
InChIKeyMIUZOGLITKFPEI-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.93
Rot. Bonds7

About 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol

4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol (PubChem CID 106840967) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
PubChem CID106840967
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
SMILESCn1ccnc1C(NCCCCO)c1cccs1
InChIInChI=1S/C13H19N3OS/c1-16-8-7-15-13(16)12(11-5-4-10-18-11)14-6-2-3-9-17/h4-5,7-8,10,12,14,17H,2-3,6,9H2,1H3
InChIKeyMIUZOGLITKFPEI-UHFFFAOYSA-N
XLogP1.93
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N',N'-diethyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propane-1,3-diamine
CID 43763148
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43754998
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
3-ethenoxy-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 43771214
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-pyridin-4-ylethanamine
CID 60904183
ethyl 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butanoate
CID 64578919
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]hydroxylamine
CID 82685624
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
3-methyl-N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]but-2-en-1-amine
CID 114154687
N-[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]-2-thiomorpholin-4-ylethanamine
CID 103917506
N-ethyl-2-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]ethanesulfonamide
CID 103917729

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol?
The IUPAC name of 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol (CID 106840967) is 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol?
The canonical SMILES for 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol is Cn1ccnc1C(NCCCCO)c1cccs1.
What is the InChIKey of 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol?
The InChIKey is MIUZOGLITKFPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16-8-7-15-13(16)12(11-5-4-10-18-11)14-6-2-3-9-17/h4-5,7-8,10,12,14,17H,2-3,6,9H2,1H3.
What are the key properties of 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol?
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol has a molecular weight of 265.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol is sourced from PubChem (CID 106840967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).