N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide

C12H14N4 — CID 59921201

IUPACN'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide
SMILESCC(c1ccc(/N=C/N)cc1)n1ccnc1
InChIInChI=1S/C12H14N4/c1-10(16-7-6-14-9-16)11-2-4-12(5-3-11)15-8-13/h2-10H,1H3,(H2,13,15)
InChIKeyKHSCXMWSHNIEDZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.11
Rot. Bonds3

About N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide

N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide (PubChem CID 59921201) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide.

Molecular Properties

Compound NameN'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide
PubChem CID59921201
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC NameN'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide
SMILESCC(c1ccc(/N=C/N)cc1)n1ccnc1
InChIInChI=1S/C12H14N4/c1-10(16-7-6-14-9-16)11-2-4-12(5-3-11)15-8-13/h2-10H,1H3,(H2,13,15)
InChIKeyKHSCXMWSHNIEDZ-UHFFFAOYSA-N
XLogP2.11
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-[1-(7-fluoro-9H-fluoren-2-yl)ethyl]imidazole
CID 44586865
methanesulfonic acid;1-(1-phenylethyl)imidazole
CID 174969600
1-[1-(3,5-dimethoxyphenyl)ethyl]imidazole
CID 54769240
6-(1-imidazol-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 69327704
(E)-but-2-enedioic acid;3-(1-imidazol-1-ylethyl)dibenzothiophene 5-oxide
CID 86753098
2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320
1-[1-[3,5-bis(phenylmethoxy)phenyl]ethyl]imidazole
CID 172603383
5-[[5-(1-imidazol-1-ylethyl)-2-pyridinyl]methyl]-1,3-oxazole
CID 123848512
1-(1-chloroethyl)imidazole
CID 22400425
ethane;methane;1-propan-2-ylimidazole
CID 159501500
1-imidazol-1-ylethanol
CID 18366448
1-(1-nitrosoethyl)imidazole
CID 54257439

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide?
The IUPAC name of N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide (CID 59921201) is N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide.
What is the SMILES notation for N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide?
The canonical SMILES for N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide is CC(c1ccc(/N=C/N)cc1)n1ccnc1.
What is the InChIKey of N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide?
The InChIKey is KHSCXMWSHNIEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-10(16-7-6-14-9-16)11-2-4-12(5-3-11)15-8-13/h2-10H,1H3,(H2,13,15).
What are the key properties of N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide?
N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide has a molecular weight of 214.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-imidazol-1-ylethyl)phenyl]methanimidamide is sourced from PubChem (CID 59921201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).