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

C20H22IN5 — CID 166366926

IUPACN-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C20H21N5.HI/c1-24(20-21-13-19(23-20)17-8-4-2-5-9-17)14-16-12-22-25(15-16)18-10-6-3-7-11-18;/h2-12,15,19H,13-14H2,1H3,(H,21,23);1H
InChIKeyLVRINBVGZDZHOZ-UHFFFAOYSA-N
MW459.34 g/mol
LogP3.62
Rot. Bonds4

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

N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 166366926) has the molecular formula C20H22IN5 and a molecular weight of 459.34 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID166366926
Molecular FormulaC20H22IN5
Molecular Weight459.34 g/mol
Exact Mass459.09
IUPAC NameN-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C20H21N5.HI/c1-24(20-21-13-19(23-20)17-8-4-2-5-9-17)14-16-12-22-25(15-16)18-10-6-3-7-11-18;/h2-12,15,19H,13-14H2,1H3,(H,21,23);1H
InChIKeyLVRINBVGZDZHOZ-UHFFFAOYSA-N
XLogP3.62
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.34
LogP ≤ 53.62
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

3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide
CID 166367428
N-methyl-3-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazolidine-4-carboxamide
CID 52990156
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-5-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 167908961
(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
CID 146098115
N-methyl-N-[methyl-[(1-phenylpyrazol-4-yl)methyl]sulfamoyl]propan-1-amine
CID 71847517
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 119694754
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
(2R,3S)-N,2-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-3-carboxamide
CID 120920037
(3S)-N-methyl-1,1-dioxo-N-[(1-phenylpyrazol-4-yl)methyl]thiolane-3-carboxamide
CID 8962417
3-(2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]urea
CID 71935397
1-methyl-1-[(1-phenylpyrazol-4-yl)methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 55809055

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 166366926) is N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is CN(Cc1cnn(-c2ccccc2)c1)C1=NCC(c2ccccc2)N1.I.
What is the InChIKey of N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is LVRINBVGZDZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5.HI/c1-24(20-21-13-19(23-20)17-8-4-2-5-9-17)14-16-12-22-25(15-16)18-10-6-3-7-11-18;/h2-12,15,19H,13-14H2,1H3,(H,21,23);1H.
What are the key properties of N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 459.34 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 166366926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).