2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine

C15H17ClN4 — CID 67415518

IUPAC2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine
SMILESNN1CCCCC1=C(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C15H17ClN4/c16-13-6-2-1-5-12(13)15(19-10-8-18-11-19)14-7-3-4-9-20(14)17/h1-2,5-6,8,10-11H,3-4,7,9,17H2
InChIKeyRXCUBGGBPGXNPF-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.11
Rot. Bonds2

About 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine

2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine (PubChem CID 67415518) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine
PubChem CID67415518
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine
SMILESNN1CCCCC1=C(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C15H17ClN4/c16-13-6-2-1-5-12(13)15(19-10-8-18-11-19)14-7-3-4-9-20(14)17/h1-2,5-6,8,10-11H,3-4,7,9,17H2
InChIKeyRXCUBGGBPGXNPF-UHFFFAOYSA-N
XLogP3.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine (CID 67415518) is 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine is NN1CCCCC1=C(c1ccccc1Cl)n1ccnc1.
What is the InChIKey of 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine?
The InChIKey is RXCUBGGBPGXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-13-6-2-1-5-12(13)15(19-10-8-18-11-19)14-7-3-4-9-20(14)17/h1-2,5-6,8,10-11H,3-4,7,9,17H2.
What are the key properties of 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine?
2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine has a molecular weight of 288.78 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)-imidazol-1-ylmethylidene]piperidin-1-amine is sourced from PubChem (CID 67415518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).