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

C15H16N4S — CID 114720701

IUPAC4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(Cn2cncc2-c2ccnc(N)c2)sc1C
InChIInChI=1S/C15H16N4S/c1-10-5-13(20-11(10)2)8-19-9-17-7-14(19)12-3-4-18-15(16)6-12/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyGLZBZAYCWBBGSL-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.25
Rot. Bonds3

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

4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114720701) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114720701
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine
SMILESCc1cc(Cn2cncc2-c2ccnc(N)c2)sc1C
InChIInChI=1S/C15H16N4S/c1-10-5-13(20-11(10)2)8-19-9-17-7-14(19)12-3-4-18-15(16)6-12/h3-7,9H,8H2,1-2H3,(H2,16,18)
InChIKeyGLZBZAYCWBBGSL-UHFFFAOYSA-N
XLogP3.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(6-methyl-3-pyridinyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114720279
4-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]pyridin-2-amine
CID 106040949
4-[[5-(2-amino-4-pyridinyl)imidazol-1-yl]methyl]phenol
CID 114722613
4-(3-pentylimidazol-4-yl)pyridin-2-amine
CID 114716246
4-[3-(3-methylbut-2-enyl)imidazol-4-yl]pyridin-2-amine
CID 106194333
4-[3-(2-methylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114719950
4-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114721670
ethyl 3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114719027
4-[3-(cyclobutylmethyl)imidazol-4-yl]pyridin-2-amine
CID 114715991
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
3-[5-(2-amino-4-pyridinyl)imidazol-1-yl]-N,N-dimethylpropanamide
CID 114718794
4-[3-[(2-methylcyclopentyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 107421498

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine (CID 114720701) is 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine is Cc1cc(Cn2cncc2-c2ccnc(N)c2)sc1C.
What is the InChIKey of 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is GLZBZAYCWBBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-5-13(20-11(10)2)8-19-9-17-7-14(19)12-3-4-18-15(16)6-12/h3-7,9H,8H2,1-2H3,(H2,16,18).
What are the key properties of 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine?
4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4,5-dimethylthiophen-2-yl)methyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114720701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).