2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine

C17H17ClN4 — CID 25163038

IUPAC2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine
SMILESCc1ccc(-c2cn(CCN)c(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C17H17ClN4/c1-12-2-4-13(5-3-12)15-11-22(9-8-19)17(21-15)14-6-7-16(18)20-10-14/h2-7,10-11H,8-9,19H2,1H3
InChIKeyOAFIOVHHPFHKMO-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.53
Rot. Bonds4

About 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine

2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine (PubChem CID 25163038) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine
PubChem CID25163038
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine
SMILESCc1ccc(-c2cn(CCN)c(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C17H17ClN4/c1-12-2-4-13(5-3-12)15-11-22(9-8-19)17(21-15)14-6-7-16(18)20-10-14/h2-7,10-11H,8-9,19H2,1H3
InChIKeyOAFIOVHHPFHKMO-UHFFFAOYSA-N
XLogP3.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine (CID 25163038) is 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine is Cc1ccc(-c2cn(CCN)c(-c3ccc(Cl)nc3)n2)cc1.
What is the InChIKey of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine?
The InChIKey is OAFIOVHHPFHKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-12-2-4-13(5-3-12)15-11-22(9-8-19)17(21-15)14-6-7-16(18)20-10-14/h2-7,10-11H,8-9,19H2,1H3.
What are the key properties of 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine?
2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine has a molecular weight of 312.80 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-3-pyridinyl)-4-(4-methylphenyl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 25163038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).