3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine

C16H18N4S — CID 114718489

IUPAC3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine
SMILESCc1cc(C(C)n2cncc2-c2cnccc2N)c(C)s1
InChIInChI=1S/C16H18N4S/c1-10-6-13(12(3)21-10)11(2)20-9-19-8-16(20)14-7-18-5-4-15(14)17/h4-9,11H,1-3H3,(H2,17,18)
InChIKeyHBDHLYOZDVUSPC-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.81
Rot. Bonds3

About 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine

3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114718489) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114718489
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC Name3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine
SMILESCc1cc(C(C)n2cncc2-c2cnccc2N)c(C)s1
InChIInChI=1S/C16H18N4S/c1-10-6-13(12(3)21-10)11(2)20-9-19-8-16(20)14-7-18-5-4-15(14)17/h4-9,11H,1-3H3,(H2,17,18)
InChIKeyHBDHLYOZDVUSPC-UHFFFAOYSA-N
XLogP3.81
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]propan-1-amine
CID 104942416
4-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]-4-methylpiperidine
CID 114718487
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721819
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 114721807
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-pyrrolidin-2-ylimidazole
CID 114704559
3-[3-(1-cyclohexylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114720144
4-[3-[1-(5-methylthiophen-2-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114719474
1-[1-(2,5-dimethylthiophen-3-yl)ethyl]-N-methylimidazol-2-amine
CID 106565395
3-[3-(4-methyl-3-pyridinyl)imidazol-4-yl]pyridin-4-amine
CID 114720350
3-[3-(3,4-dimethylphenyl)imidazol-4-yl]pyridin-4-amine
CID 114717015
2-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]morpholine
CID 114718480
2-(1-chloroethyl)-1-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazo[4,5-c]pyridine
CID 79274266

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine (CID 114718489) is 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine is Cc1cc(C(C)n2cncc2-c2cnccc2N)c(C)s1.
What is the InChIKey of 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is HBDHLYOZDVUSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-10-6-13(12(3)21-10)11(2)20-9-19-8-16(20)14-7-18-5-4-15(14)17/h4-9,11H,1-3H3,(H2,17,18).
What are the key properties of 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 298.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114718489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).