N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C10H14IN3 — CID 126766928

IUPACN-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESI.c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H13N3.HI/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H2,11,12,13);1H
InChIKeyCDDXMELCAQQVKS-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.35
Rot. Bonds2

About N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 126766928) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID126766928
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC NameN-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESI.c1ccc(CNC2=NCCN2)cc1
InChIInChI=1S/C10H13N3.HI/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H2,11,12,13);1H
InChIKeyCDDXMELCAQQVKS-UHFFFAOYSA-N
XLogP1.35
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 75480310
N-[(3,4-difluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601420
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
N-[(3-chlorophenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110913998
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 51132130
N-[[4-(dimethylamino)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 75480286
N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 165345148
N-[(4-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110916115
N-benzyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)acetamide
CID 131224552
N-benzyl-5-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 154782801
N-[(2-naphthalen-1-ylsulfanylphenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 15945566
N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111912600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 126766928) is N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is I.c1ccc(CNC2=NCCN2)cc1.
What is the InChIKey of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is CDDXMELCAQQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3.HI/c1-2-4-9(5-3-1)8-13-10-11-6-7-12-10;/h1-5H,6-8H2,(H2,11,12,13);1H.
What are the key properties of N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 303.15 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 126766928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).