2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

C17H25N3OS — CID 131950135

IUPAC2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1ccc(C2CCCC2)s1
InChIInChI=1S/C17H25N3OS/c1-19-9-8-18-17(19)13-20(10-11-21)12-15-6-7-16(22-15)14-4-2-3-5-14/h6-9,14,21H,2-5,10-13H2,1H3
InChIKeyAMCMMLGQRNSWHA-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.13
Rot. Bonds7

About 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol

2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (PubChem CID 131950135) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
PubChem CID131950135
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
SMILESCn1ccnc1CN(CCO)Cc1ccc(C2CCCC2)s1
InChIInChI=1S/C17H25N3OS/c1-19-9-8-18-17(19)13-20(10-11-21)12-15-6-7-16(22-15)14-4-2-3-5-14/h6-9,14,21H,2-5,10-13H2,1H3
InChIKeyAMCMMLGQRNSWHA-UHFFFAOYSA-N
XLogP3.13
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol (CID 131950135) is 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is Cn1ccnc1CN(CCO)Cc1ccc(C2CCCC2)s1.
What is the InChIKey of 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is AMCMMLGQRNSWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-19-9-8-18-17(19)13-20(10-11-21)12-15-6-7-16(22-15)14-4-2-3-5-14/h6-9,14,21H,2-5,10-13H2,1H3.
What are the key properties of 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol?
2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 319.47 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopentylthiophen-2-yl)methyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 131950135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).