3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine

C16H15ClN4 — CID 114719040

IUPAC3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESCC(c1cccc(Cl)c1)n1cncc1-c1cccnc1N
InChIInChI=1S/C16H15ClN4/c1-11(12-4-2-5-13(17)8-12)21-10-19-9-15(21)14-6-3-7-20-16(14)18/h2-11H,1H3,(H2,18,20)
InChIKeyNMMFMDUYGHUUCF-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.79
Rot. Bonds3

About 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine

3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine (PubChem CID 114719040) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
PubChem CID114719040
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine
SMILESCC(c1cccc(Cl)c1)n1cncc1-c1cccnc1N
InChIInChI=1S/C16H15ClN4/c1-11(12-4-2-5-13(17)8-12)21-10-19-9-15(21)14-6-3-7-20-16(14)18/h2-11H,1H3,(H2,18,20)
InChIKeyNMMFMDUYGHUUCF-UHFFFAOYSA-N
XLogP3.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1-pyridin-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114717857
3-[3-(1-thiophen-3-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720041
3-(3-butan-2-ylimidazol-4-yl)pyridin-2-amine
CID 114717187
3-(3-but-3-en-2-ylimidazol-4-yl)pyridin-2-amine
CID 114722123
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[3-(1-cyclopentylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720645
3-[3-[4-(dimethylamino)butan-2-yl]imidazol-4-yl]pyridin-2-amine
CID 114719339
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
N-[[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150084
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[3-(3,4-difluorophenyl)imidazol-4-yl]pyridin-2-amine
CID 114717143
2-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]-6-methylpiperidine
CID 114719041

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine (CID 114719040) is 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine is CC(c1cccc(Cl)c1)n1cncc1-c1cccnc1N.
What is the InChIKey of 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine?
The InChIKey is NMMFMDUYGHUUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-11(12-4-2-5-13(17)8-12)21-10-19-9-15(21)14-6-3-7-20-16(14)18/h2-11H,1H3,(H2,18,20).
What are the key properties of 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine?
3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine has a molecular weight of 298.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(3-chlorophenyl)ethyl]imidazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 114719040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).