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

C20H22IN5 — CID 75480310

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESI.c1ccc(Cn2cc(CNC3=NCCN3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N5.HI/c1-3-7-16(8-4-1)14-25-15-18(13-23-20-21-11-12-22-20)19(24-25)17-9-5-2-6-10-17;/h1-10,15H,11-14H2,(H2,21,22,23);1H
InChIKeyHTKOFVLQMSGMFS-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.27
Rot. Bonds5

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

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 75480310) has the molecular formula C20H22IN5 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID75480310
Molecular FormulaC20H22IN5
Molecular Weight459.34 g/mol
Exact Mass459.09
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESI.c1ccc(Cn2cc(CNC3=NCCN3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N5.HI/c1-3-7-16(8-4-1)14-25-15-18(13-23-20-21-11-12-22-20)19(24-25)17-9-5-2-6-10-17;/h1-10,15H,11-14H2,(H2,21,22,23);1H
InChIKeyHTKOFVLQMSGMFS-UHFFFAOYSA-N
XLogP3.27
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
CID 51132130
N-benzyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 126766928
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
2-benzyl-N-(4,5-dihydro-1H-imidazol-2-yl)indazol-4-amine
CID 13255552
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24610601
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[[2-(phenylmethoxymethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110915521
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 75480310) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is I.c1ccc(Cn2cc(CNC3=NCCN3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is HTKOFVLQMSGMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.HI/c1-3-7-16(8-4-1)14-25-15-18(13-23-20-21-11-12-22-20)19(24-25)17-9-5-2-6-10-17;/h1-10,15H,11-14H2,(H2,21,22,23);1H.
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 459.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 75480310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).