lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide

C14H12LrN2-2 — CID 170209546

IUPAClawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
SMILESCN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Lr]
InChIInChI=1S/C14H12N2.Lr/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;/h2-7,9-11H,1H3;/q-2;
InChIKeyNOXBBSKQFAMZTQ-UHFFFAOYSA-N
MW470.26 g/mol
LogP3.19
Rot. Bonds1

About lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide

lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide (PubChem CID 170209546) has the molecular formula C14H12LrN2-2 and a molecular weight of 470.26 g/mol. Its IUPAC name is lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide.

Molecular Properties

Compound Namelawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
PubChem CID170209546
Molecular FormulaC14H12LrN2-2
Molecular Weight470.26 g/mol
Exact Mass470.21
IUPAC Namelawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
SMILESCN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Lr]
InChIInChI=1S/C14H12N2.Lr/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;/h2-7,9-11H,1H3;/q-2;
InChIKeyNOXBBSKQFAMZTQ-UHFFFAOYSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1,2-dihydroimidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514234
bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514289
chlorocopper;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide
CID 58544736
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide
CID 155625565
osmium;1,5,6-trimethyl-3-phenyl-2H-benzimidazol-2-ide;bis(tri(propan-2-yl)phosphanium)
CID 147264576
4-(2,6-dimethylphenyl)-3-(2-methylphenyl)-5-phenyl-1,2,4-triazole;iridium(3+);1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 140736391
1,4-diphenyl-2H-imidazol-2-ide;1-methyl-3-phenyl-2H-benzimidazol-2-ide;4-methyl-1-phenyl-2H-imidazol-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide;platinum
CID 172514248
1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium
CID 140677085
carbanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;osmium monohydride;tri(propan-2-yl)phosphanium
CID 161458362
1,4-dimethyl-3-phenyl-2H-imidazol-2-ide;iridium
CID 140837724
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium);methane;octakis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);bis(1-phenylisoquinoline)
CID 161395036

Frequently Asked Questions

What is the IUPAC name of lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide?
The IUPAC name of lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide (CID 170209546) is lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide.
What is the SMILES notation for lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide?
The canonical SMILES for lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide is CN1[CH-]N(c2[c-]cccc2)c2ccccc21.[Lr].
What is the InChIKey of lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide?
The InChIKey is NOXBBSKQFAMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2.Lr/c1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;/h2-7,9-11H,1H3;/q-2;.
What are the key properties of lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide?
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide has a molecular weight of 470.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide is sourced from PubChem (CID 170209546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).