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

C20H21N5 — CID 51132130

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(Cn2cc(CNC3=NCCN3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N5/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)
InChIKeyBJNNTXLQLRCONR-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.65
Rot. Bonds5

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

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 51132130) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID51132130
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1ccc(Cn2cc(CNC3=NCCN3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C20H21N5/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)
InChIKeyBJNNTXLQLRCONR-UHFFFAOYSA-N
XLogP2.65
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 75480310
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-[(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
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
CID 119123380

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 51132130) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is 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?
The InChIKey is BJNNTXLQLRCONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/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).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 331.42 g/mol, XLogP of 2.65, 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 is sourced from PubChem (CID 51132130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).