(4-imidazol-1-ylphenyl)methyl-methylazanium

C11H14N3+ — CID 7157370

IUPAC(4-imidazol-1-ylphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3/p+1
InChIKeyVZIBQMZVUZDSFA-UHFFFAOYSA-O
MW188.25 g/mol
LogP0.57
Rot. Bonds3

About (4-imidazol-1-ylphenyl)methyl-methylazanium

(4-imidazol-1-ylphenyl)methyl-methylazanium (PubChem CID 7157370) has the molecular formula C11H14N3+ and a molecular weight of 188.25 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)methyl-methylazanium.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)methyl-methylazanium
PubChem CID7157370
Molecular FormulaC11H14N3+
Molecular Weight188.25 g/mol
Exact Mass188.12
IUPAC Name(4-imidazol-1-ylphenyl)methyl-methylazanium
SMILESC[NH2+]Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3/p+1
InChIKeyVZIBQMZVUZDSFA-UHFFFAOYSA-O
XLogP0.57
TPSA34.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)imidazole
CID 174821695
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
1-[4-[(4-imidazol-1-ylphenoxy)methyl]phenyl]imidazole
CID 132544165
1-[(4-imidazol-1-ylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 66230899
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
(4-imidazol-1-ylphenyl)arsane
CID 173134933
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
1-[4-(azidomethyl)phenyl]imidazole
CID 59667405
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)methyl-methylazanium?
The IUPAC name of (4-imidazol-1-ylphenyl)methyl-methylazanium (CID 7157370) is (4-imidazol-1-ylphenyl)methyl-methylazanium.
What is the SMILES notation for (4-imidazol-1-ylphenyl)methyl-methylazanium?
The canonical SMILES for (4-imidazol-1-ylphenyl)methyl-methylazanium is C[NH2+]Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)methyl-methylazanium?
The InChIKey is VZIBQMZVUZDSFA-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N3/c1-12-8-10-2-4-11(5-3-10)14-7-6-13-9-14/h2-7,9,12H,8H2,1H3/p+1.
What are the key properties of (4-imidazol-1-ylphenyl)methyl-methylazanium?
(4-imidazol-1-ylphenyl)methyl-methylazanium has a molecular weight of 188.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)methyl-methylazanium is sourced from PubChem (CID 7157370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).