3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine

C16H15ClN4 — CID 114718909

IUPAC3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4/c17-13-3-1-12(2-4-13)6-8-21-11-20-10-16(21)14-9-19-7-5-15(14)18/h1-5,7,9-11H,6,8H2,(H2,18,19)
InChIKeyZLCTVPGSLAJFFV-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.42
Rot. Bonds4

About 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine

3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine (PubChem CID 114718909) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine.

Molecular Properties

Compound Name3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
PubChem CID114718909
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine
SMILESNc1ccncc1-c1cncn1CCc1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN4/c17-13-3-1-12(2-4-13)6-8-21-11-20-10-16(21)14-9-19-7-5-15(14)18/h1-5,7,9-11H,6,8H2,(H2,18,19)
InChIKeyZLCTVPGSLAJFFV-UHFFFAOYSA-N
XLogP3.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(4-methylphenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716960
3-[3-(2-imidazol-1-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 114719696
3-(3-pent-3-ynylimidazol-4-yl)pyridin-4-amine
CID 114722467
3-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-4-amine
CID 114722229
3-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114716564
3-(3-prop-2-enylimidazol-4-yl)pyridin-4-amine
CID 114717599
3-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]pyridin-4-amine
CID 106327236
3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
CID 106041102
3-[3-(1,2-oxazol-5-ylmethyl)imidazol-4-yl]pyridin-4-amine
CID 106422521
3-[3-[2-[cyclopentyl(methyl)amino]ethyl]imidazol-4-yl]pyridin-4-amine
CID 114720550
3-[3-[2-(2-methylprop-2-enoxy)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114722634
3-[3-[(3-fluorophenyl)methyl]imidazol-4-yl]pyridin-4-amine
CID 114717841

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine?
The IUPAC name of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine (CID 114718909) is 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine.
What is the SMILES notation for 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine?
The canonical SMILES for 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine is Nc1ccncc1-c1cncn1CCc1ccc(Cl)cc1.
What is the InChIKey of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine?
The InChIKey is ZLCTVPGSLAJFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-13-3-1-12(2-4-13)6-8-21-11-20-10-16(21)14-9-19-7-5-15(14)18/h1-5,7,9-11H,6,8H2,(H2,18,19).
What are the key properties of 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine?
3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine has a molecular weight of 298.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(4-chlorophenyl)ethyl]imidazol-4-yl]pyridin-4-amine is sourced from PubChem (CID 114718909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).