CID 167500870

C9H8BFN2 — CID 167500870

IUPAC—
SMILES[B]c1cc(F)c2nc(C)n(C)c2c1
InChIInChI=1S/C9H8BFN2/c1-5-12-9-7(11)3-6(10)4-8(9)13(5)2/h3-4H,1-2H3
InChIKeyJYEPRIFGAHGWFO-UHFFFAOYSA-N
MW173.99 g/mol
LogP0.81
Rot. Bonds

About CID 167500870

CID 167500870 (PubChem CID 167500870) has the molecular formula C9H8BFN2 and a molecular weight of 173.99 g/mol.

Molecular Properties

Compound NameCID 167500870
PubChem CID167500870
Molecular FormulaC9H8BFN2
Molecular Weight173.99 g/mol
Exact Mass174.08
IUPAC Name—
SMILES[B]c1cc(F)c2nc(C)n(C)c2c1
InChIInChI=1S/C9H8BFN2/c1-5-12-9-7(11)3-6(10)4-8(9)13(5)2/h3-4H,1-2H3
InChIKeyJYEPRIFGAHGWFO-UHFFFAOYSA-N
XLogP0.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.99
LogP ≤ 50.81
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

6-bromo-4-fluoro-1,2-dimethylbenzimidazole
CID 146232538
1,2,4,6-tetramethylbenzimidazole
CID 58565379
4,6-dichloro-1,2-dimethylimidazo[4,5-c]pyridine
CID 163273340
6-fluoro-1,2,5-trimethylbenzimidazole
CID 123239325
1-cyclopropyl-4-fluoro-2-methyl-6-methylsulfanylbenzimidazole
CID 138649034
4-fluoro-5-iodo-1,2-dimethylbenzimidazole
CID 162381268
(1,2,6-trimethylbenzimidazol-4-yl)methanol
CID 155004907
5-bromo-1,2,6-trimethylbenzimidazol-4-amine
CID 10445004
1-(difluoromethyl)-4,6-difluoro-2-methylbenzimidazole
CID 175742678
6-fluoro-1,2-dimethylthieno[2,3-d]imidazole
CID 164760725
1-(4,6-difluoro-1-methylbenzimidazol-2-yl)ethanone
CID 84621348
6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;hydrochloride
CID 177312133

Frequently Asked Questions

What is the IUPAC name of CID 167500870?
The IUPAC name of CID 167500870 (CID 167500870) is not available.
What is the SMILES notation for CID 167500870?
The canonical SMILES for CID 167500870 is [B]c1cc(F)c2nc(C)n(C)c2c1.
What is the InChIKey of CID 167500870?
The InChIKey is JYEPRIFGAHGWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BFN2/c1-5-12-9-7(11)3-6(10)4-8(9)13(5)2/h3-4H,1-2H3.
What are the key properties of CID 167500870?
CID 167500870 has a molecular weight of 173.99 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 167500870 is sourced from PubChem (CID 167500870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).