5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C14H15ClIN3O — CID 166367304

IUPAC5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESClc1ccc(C2CN=C(NCc3ccoc3)N2)cc1.I
InChIInChI=1S/C14H14ClN3O.HI/c15-12-3-1-11(2-4-12)13-8-17-14(18-13)16-7-10-5-6-19-9-10;/h1-6,9,13H,7-8H2,(H2,16,17,18);1H
InChIKeyLRNWBHVEYDJCEZ-UHFFFAOYSA-N
MW403.65 g/mol
LogP3.34
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166367304) has the molecular formula C14H15ClIN3O and a molecular weight of 403.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166367304
Molecular FormulaC14H15ClIN3O
Molecular Weight403.65 g/mol
Exact Mass402.99
IUPAC Name5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESClc1ccc(C2CN=C(NCc3ccoc3)N2)cc1.I
InChIInChI=1S/C14H14ClN3O.HI/c15-12-3-1-11(2-4-12)13-8-17-14(18-13)16-7-10-5-6-19-9-10;/h1-6,9,13H,7-8H2,(H2,16,17,18);1H
InChIKeyLRNWBHVEYDJCEZ-UHFFFAOYSA-N
XLogP3.34
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61422533
1-(4-chloro-3-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61652487
1-(4-chloro-3-fluorophenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61652488
1-(3-chloro-4-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 81145993
1-(2-chloro-4-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 108292402
1-[(4-Chloro-3-fluorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-3-ylmethyl)guanidine
CID 110061120
1-[(4-Chloro-3-fluorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-1,2-dimethylguanidine
CID 110061124
1-[(3-Chloro-4-fluorophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111354872
1-(3-chloro-5-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 114453299
1-(3-chloro-2-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 114487811
N-(4-chloro-2-fluorobenzyl)-1-(furan-3-yl)methanamine
CID 114750019
1-(4-chloro-2-fluorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 114842960

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166367304) is 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is Clc1ccc(C2CN=C(NCc3ccoc3)N2)cc1.I.
What is the InChIKey of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is LRNWBHVEYDJCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O.HI/c15-12-3-1-11(2-4-12)13-8-17-14(18-13)16-7-10-5-6-19-9-10;/h1-6,9,13H,7-8H2,(H2,16,17,18);1H.
What are the key properties of 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 403.65 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(furan-3-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).