1-methyl-4H-benzimidazol-4-id-2-amine;yttrium

C8H8N3Y- — CID 58110868

IUPAC1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
SMILESCn1c(N)nc2[c-]cccc21.[Y]
InChIInChI=1S/C8H8N3.Y/c1-11-7-5-3-2-4-6(7)10-8(11)9;/h2-3,5H,1H3,(H2,9,10);/q-1;
InChIKeyYZKQCKYMVPAXBA-UHFFFAOYSA-N
MW235.08 g/mol
LogP0.95
Rot. Bonds

About 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium

1-methyl-4H-benzimidazol-4-id-2-amine;yttrium (PubChem CID 58110868) has the molecular formula C8H8N3Y- and a molecular weight of 235.08 g/mol. Its IUPAC name is 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium.

Molecular Properties

Compound Name1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
PubChem CID58110868
Molecular FormulaC8H8N3Y-
Molecular Weight235.08 g/mol
Exact Mass234.98
IUPAC Name1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
SMILESCn1c(N)nc2[c-]cccc21.[Y]
InChIInChI=1S/C8H8N3.Y/c1-11-7-5-3-2-4-6(7)10-8(11)9;/h2-3,5H,1H3,(H2,9,10);/q-1;
InChIKeyYZKQCKYMVPAXBA-UHFFFAOYSA-N
XLogP0.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(1-fluoroprop-2-enylidene)-1-methyl-5-methylideneimidazol-2-amine
CID 170019178
1-Phenyl-4,5-dihydroimidazol-2-amine;tungsten
CID 58914499
1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydroimidazol-2-amine
CID 126687470
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-4,5-dihydroimidazol-2-amine
CID 126702180
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidene-1H-imidazol-2-amine
CID 143123504
ethene;(5E)-5-ethylidene-1-methyl-4-methylideneimidazol-2-amine
CID 144010326
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazol-2-amine
CID 169248178
(4E)-1-ethyl-5-methylidene-4-prop-2-enylideneimidazol-2-amine
CID 173595422
1,4-Dimethyl-6-methylidenepyrimidin-2-amine
CID 55290866
1,6-Dimethyl-4-methylidenepyrimidin-2-amine
CID 55291051
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-amine
CID 142927504

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium?
The IUPAC name of 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium (CID 58110868) is 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium.
What is the SMILES notation for 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium?
The canonical SMILES for 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium is Cn1c(N)nc2[c-]cccc21.[Y].
What is the InChIKey of 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium?
The InChIKey is YZKQCKYMVPAXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N3.Y/c1-11-7-5-3-2-4-6(7)10-8(11)9;/h2-3,5H,1H3,(H2,9,10);/q-1;.
What are the key properties of 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium?
1-methyl-4H-benzimidazol-4-id-2-amine;yttrium has a molecular weight of 235.08 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-benzimidazol-4-id-2-amine;yttrium is sourced from PubChem (CID 58110868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).