1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium

C21H28N3V+ — CID 175973567

IUPAC1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium
SMILESCc1cc(C)c(N2CC(N)=[N+](c3c(C)cc(C)cc3C)C2)c(C)c1.[V]
InChIInChI=1S/C21H27N3.V/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6;/h7-10,22H,11-12H2,1-6H3;/p+1
InChIKeyPIEZQRWBCPLNGD-UHFFFAOYSA-O
MW373.42 g/mol
LogP4.01
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium

1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium (PubChem CID 175973567) has the molecular formula C21H28N3V+ and a molecular weight of 373.42 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium
PubChem CID175973567
Molecular FormulaC21H28N3V+
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium
SMILESCc1cc(C)c(N2CC(N)=[N+](c3c(C)cc(C)cc3C)C2)c(C)c1.[V]
InChIInChI=1S/C21H27N3.V/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6;/h7-10,22H,11-12H2,1-6H3;/p+1
InChIKeyPIEZQRWBCPLNGD-UHFFFAOYSA-O
XLogP4.01
TPSA32.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.01
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

1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-amine
CID 102142824
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
CID 101485045
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
2-(2,6-dimethylphenoxy)-1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine
CID 175886673
bis(2,4,6-trimethylphenyl)boranyl-[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-dichloroboranuide
CID 135074188
4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 173174969
[4-(aminomethyl)-1-(2,4,6-trimethylphenyl)piperidin-4-yl]methanamine
CID 117007853
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
CID 170657864
CID 136705998
CID 136705998
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
CID 175231814
1-(2-bromo-4,6-dimethylphenyl)-4-methylpiperazine
CID 139516195

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium (CID 175973567) is 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium is Cc1cc(C)c(N2CC(N)=[N+](c3c(C)cc(C)cc3C)C2)c(C)c1.[V].
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium?
The InChIKey is PIEZQRWBCPLNGD-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H27N3.V/c1-13-7-15(3)20(16(4)8-13)23-11-19(22)24(12-23)21-17(5)9-14(2)10-18(21)6;/h7-10,22H,11-12H2,1-6H3;/p+1.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium?
1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium has a molecular weight of 373.42 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium is sourced from PubChem (CID 175973567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).