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

C15H20IN5 — CID 120972062

IUPAC1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1nn(-c2ccccc2)cc1CNC1=NCCN1C.I
InChIInChI=1S/C15H19N5.HI/c1-12-13(10-17-15-16-8-9-19(15)2)11-20(18-12)14-6-4-3-5-7-14;/h3-7,11H,8-10H2,1-2H3,(H,16,17);1H
InChIKeyRTUNCWPMIMXAEM-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.19
Rot. Bonds3

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

1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972062) has the molecular formula C15H20IN5 and a molecular weight of 397.26 g/mol. Its IUPAC name is 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972062
Molecular FormulaC15H20IN5
Molecular Weight397.26 g/mol
Exact Mass397.08
IUPAC Name1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1nn(-c2ccccc2)cc1CNC1=NCCN1C.I
InChIInChI=1S/C15H19N5.HI/c1-12-13(10-17-15-16-8-9-19(15)2)11-20(18-12)14-6-4-3-5-7-14;/h3-7,11H,8-10H2,1-2H3,(H,16,17);1H
InChIKeyRTUNCWPMIMXAEM-UHFFFAOYSA-N
XLogP2.19
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972062) is 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1nn(-c2ccccc2)cc1CNC1=NCCN1C.I.
What is the InChIKey of 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is RTUNCWPMIMXAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.HI/c1-12-13(10-17-15-16-8-9-19(15)2)11-20(18-12)14-6-4-3-5-7-14;/h3-7,11H,8-10H2,1-2H3,(H,16,17);1H.
What are the key properties of 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).