3,7-dimethyl-5H-benzimidazol-5-ide;yttrium

C9H9N2Y- — CID 59708940

IUPAC3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
SMILESCc1c[c-]cc2c1ncn2C.[Y]
InChIInChI=1S/C9H9N2.Y/c1-7-4-3-5-8-9(7)10-6-11(8)2;/h4-6H,1-2H3;/q-1;
InChIKeyDYFIXAVVMVOSQR-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.68
Rot. Bonds

About 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium

3,7-dimethyl-5H-benzimidazol-5-ide;yttrium (PubChem CID 59708940) has the molecular formula C9H9N2Y- and a molecular weight of 234.09 g/mol. Its IUPAC name is 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium.

Molecular Properties

Compound Name3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
PubChem CID59708940
Molecular FormulaC9H9N2Y-
Molecular Weight234.09 g/mol
Exact Mass233.98
IUPAC Name3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
SMILESCc1c[c-]cc2c1ncn2C.[Y]
InChIInChI=1S/C9H9N2.Y/c1-7-4-3-5-8-9(7)10-6-11(8)2;/h4-6H,1-2H3;/q-1;
InChIKeyDYFIXAVVMVOSQR-UHFFFAOYSA-N
XLogP1.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.68
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

N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
3,7-Dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
CID 59708818
3,7-dimethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 59708824
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911
6,7-Dimethyl-3,8-dihydroimidazo[1,5-a]pyridine-3,8-diide;tungsten;yttrium
CID 60018607
1,6-Dimethyl-3a,4-dihydrobenzimidazole
CID 68289396
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
5-Ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
CID 123704736
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole
CID 137427543
6-Methyl-3-propan-2-yl-3a,4-dihydrobenzimidazole
CID 139297563

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium?
The IUPAC name of 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium (CID 59708940) is 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium.
What is the SMILES notation for 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium?
The canonical SMILES for 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium is Cc1c[c-]cc2c1ncn2C.[Y].
What is the InChIKey of 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium?
The InChIKey is DYFIXAVVMVOSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Y/c1-7-4-3-5-8-9(7)10-6-11(8)2;/h4-6H,1-2H3;/q-1;.
What are the key properties of 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium?
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium has a molecular weight of 234.09 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5H-benzimidazol-5-ide;yttrium is sourced from PubChem (CID 59708940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).