2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine

C12H15N5 — CID 10331400

IUPAC2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
SMILESN/C(=N\CCc1cnc[nH]1)Nc1ccccc1
InChIInChI=1S/C12H15N5/c13-12(17-10-4-2-1-3-5-10)15-7-6-11-8-14-9-16-11/h1-5,8-9H,6-7H2,(H,14,16)(H3,13,15,17)
InChIKeyMBGWYJYARDZKCZ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.38
Rot. Bonds4

About 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine

2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine (PubChem CID 10331400) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
PubChem CID10331400
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine
SMILESN/C(=N\CCc1cnc[nH]1)Nc1ccccc1
InChIInChI=1S/C12H15N5/c13-12(17-10-4-2-1-3-5-10)15-7-6-11-8-14-9-16-11/h1-5,8-9H,6-7H2,(H,14,16)(H3,13,15,17)
InChIKeyMBGWYJYARDZKCZ-UHFFFAOYSA-N
XLogP1.38
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.38
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

2-[2-(1H-imidazol-5-yl)ethyl]-1-tritylguanidine
CID 91512391
2-(2-hydroxyethyl)-1-phenylguanidine
CID 57066728
1-phenyl-2-(2-pyridin-2-ylethyl)guanidine
CID 62363835
N'-[2-(1H-imidazol-5-yl)ethyl]-2,2-dimethylpropanimidamide
CID 65236768
1-phenyl-2-(2-sulfanylethyl)guanidine
CID 27742
1,2-bis[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13499378
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528
1-phenyl-2-(3-phenylpropyl)guanidine
CID 62362092
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
1-phenyl-2-(2-sulfanylethyl)guanidine;hydrochloride
CID 138398183
2-[2-(2-chlorophenyl)ethyl]-1-phenylguanidine;hydroiodide
CID 110925966

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine (CID 10331400) is 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine is N/C(=N\CCc1cnc[nH]1)Nc1ccccc1.
What is the InChIKey of 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine?
The InChIKey is MBGWYJYARDZKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-12(17-10-4-2-1-3-5-10)15-7-6-11-8-14-9-16-11/h1-5,8-9H,6-7H2,(H,14,16)(H3,13,15,17).
What are the key properties of 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine?
2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine has a molecular weight of 229.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-imidazol-5-yl)ethyl]-1-phenylguanidine is sourced from PubChem (CID 10331400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).