dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole

C23H22Li2N4 — CID 58163117

IUPACdilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole
SMILESCn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C23H22N4.2Li/c1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;;/h5-11,13,15-16H,1-4H3;;/q-2;2*+1
InChIKeyYATOHWAFCOPHHH-UHFFFAOYSA-N
MW368.34 g/mol
LogP-1.58
Rot. Bonds4

About dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole

dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole (PubChem CID 58163117) has the molecular formula C23H22Li2N4 and a molecular weight of 368.34 g/mol. Its IUPAC name is dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole.

Molecular Properties

Compound Namedilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole
PubChem CID58163117
Molecular FormulaC23H22Li2N4
Molecular Weight368.34 g/mol
Exact Mass368.22
IUPAC Namedilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole
SMILESCn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Li+].[Li+]
InChIInChI=1S/C23H22N4.2Li/c1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;;/h5-11,13,15-16H,1-4H3;;/q-2;2*+1
InChIKeyYATOHWAFCOPHHH-UHFFFAOYSA-N
XLogP-1.58
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1E,3E)-2-ethenyl-4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-[(Z)-prop-1-enyl]imidazol-2-yl]buta-1,3-dienyl]ethanimidoyl fluoride
CID 144188977
4-cyclohex-3-en-1-yl-1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-1H-1,2,3-triazole
CID 56710742
CID 57759350
CID 57759350
CID 57759753
CID 57759753
5-Butan-2-yl-1-methyl-2-phenylimidazole;iridium
CID 58161823
1-Methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
CID 58162154
Bis(1,2-dimethyl-4-(2-methylbenzene-6-id-1-yl)imidazole);platinum(2+)
CID 58401867
3-(2,2-dimethylpropyl)-10H-imidazo[1,2-c]quinazolin-10-ide;iridium
CID 58517570
CID 58517585
CID 58517585
5-tert-butyl-2-[(5-tert-butyl-10H-imidazo[2,1-a]isoquinolin-10-id-2-yl)methyl]-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 58517772
3-tert-butyl-6-methyl-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
CID 58518000
2-(10H-imidazo[2,1-a]isoquinolin-10-id-2-ylmethyl)-10H-imidazo[2,1-a]isoquinolin-10-ide;platinum(2+)
CID 58518130

Frequently Asked Questions

What is the IUPAC name of dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole?
The IUPAC name of dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole (CID 58163117) is dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole.
What is the SMILES notation for dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole?
The canonical SMILES for dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole is Cn1cc(C(C)(C)c2cn(C)c(-c3[c-]cccc3)n2)nc1-c1[c-]cccc1.[Li+].[Li+].
What is the InChIKey of dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole?
The InChIKey is YATOHWAFCOPHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4.2Li/c1-23(2,19-15-26(3)21(24-19)17-11-7-5-8-12-17)20-16-27(4)22(25-20)18-13-9-6-10-14-18;;/h5-11,13,15-16H,1-4H3;;/q-2;2*+1.
What are the key properties of dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole?
dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole has a molecular weight of 368.34 g/mol, XLogP of -1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole is sourced from PubChem (CID 58163117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).