N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

C16H15Cl3FN3 — CID 11957569

IUPACN-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2FN3.ClH/c17-13-2-1-3-14(18)15(13)22(16-20-8-9-21-16)10-11-4-6-12(19)7-5-11;/h1-7H,8-10H2,(H,20,21);1H
InChIKeyIXKVFIDYPJXJSS-UHFFFAOYSA-N
MW374.67 g/mol
LogP4.52
Rot. Bonds3

About N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride

N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (PubChem CID 11957569) has the molecular formula C16H15Cl3FN3 and a molecular weight of 374.67 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
PubChem CID11957569
Molecular FormulaC16H15Cl3FN3
Molecular Weight374.67 g/mol
Exact Mass373.03
IUPAC NameN-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
SMILESCl.Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C16H14Cl2FN3.ClH/c17-13-2-1-3-14(18)15(13)22(16-20-8-9-21-16)10-11-4-6-12(19)7-5-11;/h1-7H,8-10H2,(H,20,21);1H
InChIKeyIXKVFIDYPJXJSS-UHFFFAOYSA-N
XLogP4.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.67
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride (CID 11957569) is N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is Cl.Fc1ccc(CN(C2=NCCN2)c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
The InChIKey is IXKVFIDYPJXJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN3.ClH/c17-13-2-1-3-14(18)15(13)22(16-20-8-9-21-16)10-11-4-6-12(19)7-5-11;/h1-7H,8-10H2,(H,20,21);1H.
What are the key properties of N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride?
N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride has a molecular weight of 374.67 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-N-[(4-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 11957569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).