N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C17H28Cl2FN3 — CID 140539587

IUPACN-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC1CCC(CC(NC2=NCCN2)C2CCCC(Cl)C2Cl)CC1
InChIInChI=1S/C17H28Cl2FN3/c18-14-3-1-2-13(16(14)19)15(23-17-21-8-9-22-17)10-11-4-6-12(20)7-5-11/h11-16H,1-10H2,(H2,21,22,23)
InChIKeyZYCYQPADYPDTLZ-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.84
Rot. Bonds4

About N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 140539587) has the molecular formula C17H28Cl2FN3 and a molecular weight of 364.34 g/mol. Its IUPAC name is N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID140539587
Molecular FormulaC17H28Cl2FN3
Molecular Weight364.34 g/mol
Exact Mass363.16
IUPAC NameN-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC1CCC(CC(NC2=NCCN2)C2CCCC(Cl)C2Cl)CC1
InChIInChI=1S/C17H28Cl2FN3/c18-14-3-1-2-13(16(14)19)15(23-17-21-8-9-22-17)10-11-4-6-12(20)7-5-11/h11-16H,1-10H2,(H2,21,22,23)
InChIKeyZYCYQPADYPDTLZ-UHFFFAOYSA-N
XLogP3.84
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 140539587) is N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is FC1CCC(CC(NC2=NCCN2)C2CCCC(Cl)C2Cl)CC1.
What is the InChIKey of N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is ZYCYQPADYPDTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2FN3/c18-14-3-1-2-13(16(14)19)15(23-17-21-8-9-22-17)10-11-4-6-12(20)7-5-11/h11-16H,1-10H2,(H2,21,22,23).
What are the key properties of N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 364.34 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorocyclohexyl)-2-(4-fluorocyclohexyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 140539587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).