N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C16H25IN4O — CID 120970752

IUPACN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccnc(OC2CCCCC2)c1.I
InChIInChI=1S/C16H24N4O.HI/c1-20-10-9-18-16(20)19-12-13-7-8-17-15(11-13)21-14-5-3-2-4-6-14;/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,18,19);1H
InChIKeyVWMOBZQIZXPRSH-UHFFFAOYSA-N
MW416.31 g/mol
LogP2.80
Rot. Bonds4

About N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970752) has the molecular formula C16H25IN4O and a molecular weight of 416.31 g/mol. Its IUPAC name is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970752
Molecular FormulaC16H25IN4O
Molecular Weight416.31 g/mol
Exact Mass416.11
IUPAC NameN-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccnc(OC2CCCCC2)c1.I
InChIInChI=1S/C16H24N4O.HI/c1-20-10-9-18-16(20)19-12-13-7-8-17-15(11-13)21-14-5-3-2-4-6-14;/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,18,19);1H
InChIKeyVWMOBZQIZXPRSH-UHFFFAOYSA-N
XLogP2.80
TPSA49.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970752) is N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccnc(OC2CCCCC2)c1.I.
What is the InChIKey of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is VWMOBZQIZXPRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.HI/c1-20-10-9-18-16(20)19-12-13-7-8-17-15(11-13)21-14-5-3-2-4-6-14;/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,18,19);1H.
What are the key properties of N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 416.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).