CID 174105864

C8H19BrMoN2Si- — CID 174105864

IUPAC—
SMILESCCCCN1C=CN(C)C1.[Br-].[Mo].[SiH3]
InChIInChI=1S/C8H16N2.BrH.Mo.H3Si/c1-3-4-5-10-7-6-9(2)8-10;;;/h6-7H,3-5,8H2,1-2H3;1H;;1H3/p-1
InChIKeyIZAXIUSGVPFKQW-UHFFFAOYSA-M
MW347.18 g/mol
LogP-2.72
Rot. Bonds3

About CID 174105864

CID 174105864 (PubChem CID 174105864) has the molecular formula C8H19BrMoN2Si- and a molecular weight of 347.18 g/mol.

Molecular Properties

Compound NameCID 174105864
PubChem CID174105864
Molecular FormulaC8H19BrMoN2Si-
Molecular Weight347.18 g/mol
Exact Mass347.96
IUPAC Name—
SMILESCCCCN1C=CN(C)C1.[Br-].[Mo].[SiH3]
InChIInChI=1S/C8H16N2.BrH.Mo.H3Si/c1-3-4-5-10-7-6-9(2)8-10;;;/h6-7H,3-5,8H2,1-2H3;1H;;1H3/p-1
InChIKeyIZAXIUSGVPFKQW-UHFFFAOYSA-M
XLogP-2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 5-2.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929
1-butyl-3-methyl-2H-imidazole
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aluminum;1-butyl-3-methyl-2H-imidazole;trichloride;hydrochloride
CID 172848443
tripotassium;1-butyl-3-methyl-2H-imidazole;hydride
CID 174886963
1-butyl-3-methyl-2H-imidazole;phosphane;hexahydrofluoride
CID 173166047
1-butyl-3-methyl-2H-imidazole;phosphorous acid
CID 174659773
zinc;1-butyl-3-methyl-2H-imidazole;ditetrafluoroborate
CID 175542670
1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-butyl-3-methyl-2H-imidazole;hydron;hexafluorophosphate
CID 174451662
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841

Frequently Asked Questions

What is the IUPAC name of CID 174105864?
The IUPAC name of CID 174105864 (CID 174105864) is not available.
What is the SMILES notation for CID 174105864?
The canonical SMILES for CID 174105864 is CCCCN1C=CN(C)C1.[Br-].[Mo].[SiH3].
What is the InChIKey of CID 174105864?
The InChIKey is IZAXIUSGVPFKQW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N2.BrH.Mo.H3Si/c1-3-4-5-10-7-6-9(2)8-10;;;/h6-7H,3-5,8H2,1-2H3;1H;;1H3/p-1.
What are the key properties of CID 174105864?
CID 174105864 has a molecular weight of 347.18 g/mol, XLogP of -2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174105864 is sourced from PubChem (CID 174105864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).