N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C11H20IN5O — CID 120972154

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCOc1c(CNC2=NCC(C)N2)c(C)nn1C.I
InChIInChI=1S/C11H19N5O.HI/c1-7-5-12-11(14-7)13-6-9-8(2)15-16(3)10(9)17-4;/h7H,5-6H2,1-4H3,(H2,12,13,14);1H
InChIKeyDKVKENBWXPZBJH-UHFFFAOYSA-N
MW365.22 g/mol
LogP0.79
Rot. Bonds3

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120972154) has the molecular formula C11H20IN5O and a molecular weight of 365.22 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID120972154
Molecular FormulaC11H20IN5O
Molecular Weight365.22 g/mol
Exact Mass365.07
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCOc1c(CNC2=NCC(C)N2)c(C)nn1C.I
InChIInChI=1S/C11H19N5O.HI/c1-7-5-12-11(14-7)13-6-9-8(2)15-16(3)10(9)17-4;/h7H,5-6H2,1-4H3,(H2,12,13,14);1H
InChIKeyDKVKENBWXPZBJH-UHFFFAOYSA-N
XLogP0.79
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971025
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 104705178
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614969
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 113354600
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 115600656
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 99608139
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxol-5-amine
CID 115742828
3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]piperidin-2-one
CID 113229761

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120972154) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is COc1c(CNC2=NCC(C)N2)c(C)nn1C.I.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is DKVKENBWXPZBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O.HI/c1-7-5-12-11(14-7)13-6-9-8(2)15-16(3)10(9)17-4;/h7H,5-6H2,1-4H3,(H2,12,13,14);1H.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 365.22 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).