N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C17H24IN5 — CID 120969286

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC1=NCCN1C.I
InChIInChI=1S/C17H23N5.HI/c1-13-16(11-19-17-18-9-10-21(17)3)14(2)22(20-13)12-15-7-5-4-6-8-15;/h4-8H,9-12H2,1-3H3,(H,18,19);1H
InChIKeyARLCNMMYIAQIPR-UHFFFAOYSA-N
MW425.32 g/mol
LogP2.56
Rot. Bonds4

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969286) has the molecular formula C17H24IN5 and a molecular weight of 425.32 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969286
Molecular FormulaC17H24IN5
Molecular Weight425.32 g/mol
Exact Mass425.11
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC1=NCCN1C.I
InChIInChI=1S/C17H23N5.HI/c1-13-16(11-19-17-18-9-10-21(17)3)14(2)22(20-13)12-15-7-5-4-6-8-15;/h4-8H,9-12H2,1-3H3,(H,18,19);1H
InChIKeyARLCNMMYIAQIPR-UHFFFAOYSA-N
XLogP2.56
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 52.56
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

1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062
6-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]pyridazine-3-carbonitrile
CID 133432328
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 133432325
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
1-methyl-N-[(4-phenylmethoxyphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969601
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-tert-butyl-2-methylguanidine;hydroiodide
CID 110966957
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidin-2-amine
CID 133467618
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 35417774
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-butan-2-yl-2-methylguanidine;hydroiodide
CID 110945805

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969286) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1nn(Cc2ccccc2)c(C)c1CNC1=NCCN1C.I.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is ARLCNMMYIAQIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.HI/c1-13-16(11-19-17-18-9-10-21(17)3)14(2)22(20-13)12-15-7-5-4-6-8-15;/h4-8H,9-12H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).