1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride

C16H16ClN3 — CID 135052369

IUPAC1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride
SMILESC[n+]1cc(N)n(-c2ccccc2)c1-c1ccccc1.[Cl-]
InChIInChI=1S/C16H16N3.ClH/c1-18-12-15(17)19(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13;/h2-12H,17H2,1H3;1H/q+1;/p-1
InChIKeyHGENWMJDMQIFKU-UHFFFAOYSA-M
MW285.78 g/mol
LogP-0.44
Rot. Bonds2

About 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride

1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride (PubChem CID 135052369) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride.

Molecular Properties

Compound Name1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride
PubChem CID135052369
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride
SMILESC[n+]1cc(N)n(-c2ccccc2)c1-c1ccccc1.[Cl-]
InChIInChI=1S/C16H16N3.ClH/c1-18-12-15(17)19(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13;/h2-12H,17H2,1H3;1H/q+1;/p-1
InChIKeyHGENWMJDMQIFKU-UHFFFAOYSA-M
XLogP-0.44
TPSA34.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-1,5-diphenyl-1,2,4-triazol-4-ium-3-thiolate
CID 58997881
1-methyl-2-[4-[10-[4-(1-methyl-3-phenylbenzimidazol-1-ium-2-yl)phenyl]anthracen-9-yl]phenyl]-3-phenylbenzimidazol-1-ium
CID 123805851
5-ethyl-6-hydroxy-1,2,3-triphenylpyrimidin-1-ium-4-one
CID 1037172
6-amino-1-phenylpyrimidin-2-one
CID 18444834
1-methyl-5-(3-nitrophenyl)-2,3-diphenylimidazol-1-ium-4-thiol
CID 102338683
3-methyl-2-(2-methylphenyl)-1,5-diphenylbenzimidazol-3-ium
CID 161260504
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
2-methylsulfanyl-3-phenylimidazol-4-amine
CID 101471357
5-chloro-1,2-diphenylimidazol-4-amine
CID 23064514
3-methyl-2-(2-methylphenyl)-1-phenylimidazo[4,5-b]pyrazin-3-ium
CID 162494344
1,3-diphenylpyrrolo[3,2-c]pyridin-2-amine
CID 175479523
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride?
The IUPAC name of 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride (CID 135052369) is 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride.
What is the SMILES notation for 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride?
The canonical SMILES for 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride is C[n+]1cc(N)n(-c2ccccc2)c1-c1ccccc1.[Cl-].
What is the InChIKey of 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride?
The InChIKey is HGENWMJDMQIFKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N3.ClH/c1-18-12-15(17)19(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13;/h2-12H,17H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride?
1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride has a molecular weight of 285.78 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-diphenylimidazol-1-ium-4-amine chloride is sourced from PubChem (CID 135052369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).