2-(1H-imidazol-2-yl)-1-phenylguanidine

C10H11N5 — CID 91182432

IUPAC2-(1H-imidazol-2-yl)-1-phenylguanidine
SMILESNC(=Nc1ncc[nH]1)Nc1ccccc1
InChIInChI=1S/C10H11N5/c11-9(15-10-12-6-7-13-10)14-8-4-2-1-3-5-8/h1-7H,(H4,11,12,13,14,15)
InChIKeyNIDTUGAIHJGAKN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.47
Rot. Bonds2

About 2-(1H-imidazol-2-yl)-1-phenylguanidine

2-(1H-imidazol-2-yl)-1-phenylguanidine (PubChem CID 91182432) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-phenylguanidine
PubChem CID91182432
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(1H-imidazol-2-yl)-1-phenylguanidine
SMILESNC(=Nc1ncc[nH]1)Nc1ccccc1
InChIInChI=1S/C10H11N5/c11-9(15-10-12-6-7-13-10)14-8-4-2-1-3-5-8/h1-7H,(H4,11,12,13,14,15)
InChIKeyNIDTUGAIHJGAKN-UHFFFAOYSA-N
XLogP1.47
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(1H-imidazol-2-yl)ethanimidamide
CID 142107184
2-(4-oxo-3H-quinazolin-2-yl)-1-phenylguanidine
CID 135994268
2-(2-methylpyrimidin-4-yl)-1-phenylguanidine
CID 70039227
2-(6-oxo-4-phenyl-1H-pyrimidin-2-yl)-1-phenylguanidine
CID 135479085
1-phenyl-2-[3-(trifluoromethyl)-2-pyridinyl]guanidine
CID 57000219
zinc;1,2-diphenylguanidine;oxygen(2-);sulfane;hydrate
CID 172780752
1-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 62072214
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
CID 71395305
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
2-(5-nitro-2-pyridinyl)-1-phenylguanidine
CID 100573340
bis(1H-imidazol-2-yl)diazene;hydrochloride
CID 141477390

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-phenylguanidine?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-phenylguanidine (CID 91182432) is 2-(1H-imidazol-2-yl)-1-phenylguanidine.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-phenylguanidine?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-phenylguanidine is NC(=Nc1ncc[nH]1)Nc1ccccc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-phenylguanidine?
The InChIKey is NIDTUGAIHJGAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-9(15-10-12-6-7-13-10)14-8-4-2-1-3-5-8/h1-7H,(H4,11,12,13,14,15).
What are the key properties of 2-(1H-imidazol-2-yl)-1-phenylguanidine?
2-(1H-imidazol-2-yl)-1-phenylguanidine has a molecular weight of 201.23 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-phenylguanidine is sourced from PubChem (CID 91182432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).