5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine

C14H21N3S — CID 61335332

IUPAC5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCc1ccc(-c2cnc(CCCCCN)[nH]2)s1
InChIInChI=1S/C14H21N3S/c1-2-11-7-8-13(18-11)12-10-16-14(17-12)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyLORDMHKCHHZQNL-UHFFFAOYSA-N
MW263.41 g/mol
LogP3.37
Rot. Bonds7

About 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine

5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 61335332) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID61335332
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCc1ccc(-c2cnc(CCCCCN)[nH]2)s1
InChIInChI=1S/C14H21N3S/c1-2-11-7-8-13(18-11)12-10-16-14(17-12)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyLORDMHKCHHZQNL-UHFFFAOYSA-N
XLogP3.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19961016
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CID 49861211
CID 49861211
CID 6538802
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CID 9815610
CID 9815610
CID 9837106
CID 9837106
CID 10398042
CID 10398042
CID 14660411
CID 14660411
CID 19961030
CID 19961030
CID 44449706
CID 44449706

Frequently Asked Questions

What is the IUPAC name of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine (CID 61335332) is 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine is CCc1ccc(-c2cnc(CCCCCN)[nH]2)s1.
What is the InChIKey of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is LORDMHKCHHZQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-11-7-8-13(18-11)12-10-16-14(17-12)6-4-3-5-9-15/h7-8,10H,2-6,9,15H2,1H3,(H,16,17).
What are the key properties of 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine?
5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 263.41 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 61335332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).