N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride

C14H19ClN4 — CID 45261847

IUPACN-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride
SMILESCC(C)C/N=C/Nc1ccc(-c2cnc[nH]2)cc1.Cl
InChIInChI=1S/C14H18N4.ClH/c1-11(2)7-15-9-17-13-5-3-12(4-6-13)14-8-16-10-18-14;/h3-6,8-11H,7H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyWQKOGNGDCKVIEY-UHFFFAOYSA-N
MW278.79 g/mol
LogP3.59
Rot. Bonds5

About N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride

N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride (PubChem CID 45261847) has the molecular formula C14H19ClN4 and a molecular weight of 278.79 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride
PubChem CID45261847
Molecular FormulaC14H19ClN4
Molecular Weight278.79 g/mol
Exact Mass278.13
IUPAC NameN-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride
SMILESCC(C)C/N=C/Nc1ccc(-c2cnc[nH]2)cc1.Cl
InChIInChI=1S/C14H18N4.ClH/c1-11(2)7-15-9-17-13-5-3-12(4-6-13)14-8-16-10-18-14;/h3-6,8-11H,7H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyWQKOGNGDCKVIEY-UHFFFAOYSA-N
XLogP3.59
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
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 N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride?
The IUPAC name of N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride (CID 45261847) is N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride is CC(C)C/N=C/Nc1ccc(-c2cnc[nH]2)cc1.Cl.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride?
The InChIKey is WQKOGNGDCKVIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.ClH/c1-11(2)7-15-9-17-13-5-3-12(4-6-13)14-8-16-10-18-14;/h3-6,8-11H,7H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride?
N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride has a molecular weight of 278.79 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)phenyl]-N'-(2-methylpropyl)methanimidamide;hydrochloride is sourced from PubChem (CID 45261847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).