3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine

C14H19N3S — CID 55147512

IUPAC3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESCc1ccc(-c2cnc(C3CCCC(N)C3)[nH]2)s1
InChIInChI=1S/C14H19N3S/c1-9-5-6-13(18-9)12-8-16-14(17-12)10-3-2-4-11(15)7-10/h5-6,8,10-11H,2-4,7,15H2,1H3,(H,16,17)
InChIKeyZVECUPAGUBVXCA-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.43
Rot. Bonds2

About 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine

3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine (PubChem CID 55147512) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
PubChem CID55147512
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine
SMILESCc1ccc(-c2cnc(C3CCCC(N)C3)[nH]2)s1
InChIInChI=1S/C14H19N3S/c1-9-5-6-13(18-9)12-8-16-14(17-12)10-3-2-4-11(15)7-10/h5-6,8,10-11H,2-4,7,15H2,1H3,(H,16,17)
InChIKeyZVECUPAGUBVXCA-UHFFFAOYSA-N
XLogP3.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The IUPAC name of 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine (CID 55147512) is 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine is Cc1ccc(-c2cnc(C3CCCC(N)C3)[nH]2)s1.
What is the InChIKey of 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
The InChIKey is ZVECUPAGUBVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-9-5-6-13(18-9)12-8-16-14(17-12)10-3-2-4-11(15)7-10/h5-6,8,10-11H,2-4,7,15H2,1H3,(H,16,17).
What are the key properties of 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine?
3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 55147512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).