N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C16H22ClFIN3 — CID 120972372

IUPACN-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1(c2cccc(Cl)c2F)CCCC1.I
InChIInChI=1S/C16H21ClFN3.HI/c1-21-10-9-19-15(21)20-11-16(7-2-3-8-16)12-5-4-6-13(17)14(12)18;/h4-6H,2-3,7-11H2,1H3,(H,19,20);1H
InChIKeyYWAQHIBYWWJAFL-UHFFFAOYSA-N
MW437.73 g/mol
LogP3.80
Rot. Bonds3

About N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972372) has the molecular formula C16H22ClFIN3 and a molecular weight of 437.73 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972372
Molecular FormulaC16H22ClFIN3
Molecular Weight437.73 g/mol
Exact Mass437.05
IUPAC NameN-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1(c2cccc(Cl)c2F)CCCC1.I
InChIInChI=1S/C16H21ClFN3.HI/c1-21-10-9-19-15(21)20-11-16(7-2-3-8-16)12-5-4-6-13(17)14(12)18;/h4-6H,2-3,7-11H2,1H3,(H,19,20);1H
InChIKeyYWAQHIBYWWJAFL-UHFFFAOYSA-N
XLogP3.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.73
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 53591948
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 53592598
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 53598492
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 53618071
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 53591949
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 53592599
N-[[1-(4-chlorophenyl)cyclohexyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 53598493
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 53618072
1-[2-(4-Chlorophenyl)-2-methylpropyl]-2-methylguanidine
CID 119041451
(4S,5S)-5-(3-chloro-4-fluorophenyl)-4-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-amine
CID 71129625
N-[(3-chloro-2-fluorophenyl)methyl]-3-methyl-4,5-dihydro-1H-imidazol-3-ium-2-amine
CID 167374592
5-(3-chloro-4-fluorophenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
CID 79496769

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972372) is N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC1(c2cccc(Cl)c2F)CCCC1.I.
What is the InChIKey of N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is YWAQHIBYWWJAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3.HI/c1-21-10-9-19-15(21)20-11-16(7-2-3-8-16)12-5-4-6-13(17)14(12)18;/h4-6H,2-3,7-11H2,1H3,(H,19,20);1H.
What are the key properties of N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 437.73 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-fluorophenyl)cyclopentyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).