N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C17H26IN3O2 — CID 120970170

IUPACN-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1cc(CNC2=NCCN2C)ccc1OC1CCCC1.I
InChIInChI=1S/C17H25N3O2.HI/c1-20-10-9-18-17(20)19-12-13-7-8-15(16(11-13)21-2)22-14-5-3-4-6-14;/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,19);1H
InChIKeyLKYAFZCBFQCIAP-UHFFFAOYSA-N
MW431.32 g/mol
LogP3.03
Rot. Bonds5

About N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970170) has the molecular formula C17H26IN3O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970170
Molecular FormulaC17H26IN3O2
Molecular Weight431.32 g/mol
Exact Mass431.11
IUPAC NameN-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCOc1cc(CNC2=NCCN2C)ccc1OC1CCCC1.I
InChIInChI=1S/C17H25N3O2.HI/c1-20-10-9-18-17(20)19-12-13-7-8-15(16(11-13)21-2)22-14-5-3-4-6-14;/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,19);1H
InChIKeyLKYAFZCBFQCIAP-UHFFFAOYSA-N
XLogP3.03
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969682
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970093
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969741
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970752
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969223
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]hydroxylamine
CID 115004271
N-[(5-bromo-2-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970728
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972793
N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970919
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959667
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110956533

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970170) is N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is COc1cc(CNC2=NCCN2C)ccc1OC1CCCC1.I.
What is the InChIKey of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is LKYAFZCBFQCIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.HI/c1-20-10-9-18-17(20)19-12-13-7-8-15(16(11-13)21-2)22-14-5-3-4-6-14;/h7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 431.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).