2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride

C10H12ClN5 — CID 45265214

IUPAC2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H11N5.ClH/c11-10(12)15-8-3-1-7(2-4-8)9-5-13-6-14-9;/h1-6H,(H,13,14)(H4,11,12,15);1H
InChIKeyTXRKRAVRHSUAAI-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.40
Rot. Bonds2

About 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride

2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride (PubChem CID 45265214) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride
PubChem CID45265214
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C10H11N5.ClH/c11-10(12)15-8-3-1-7(2-4-8)9-5-13-6-14-9;/h1-6H,(H,13,14)(H4,11,12,15);1H
InChIKeyTXRKRAVRHSUAAI-UHFFFAOYSA-N
XLogP1.40
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.40
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride?
The IUPAC name of 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride (CID 45265214) is 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride.
What is the SMILES notation for 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride?
The canonical SMILES for 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride is Cl.NC(N)=Nc1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride?
The InChIKey is TXRKRAVRHSUAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5.ClH/c11-10(12)15-8-3-1-7(2-4-8)9-5-13-6-14-9;/h1-6H,(H,13,14)(H4,11,12,15);1H.
What are the key properties of 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride?
2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride has a molecular weight of 237.69 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-5-yl)phenyl]guanidine;hydrochloride is sourced from PubChem (CID 45265214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).