CID 175276367

C8H7N4Se — CID 175276367

IUPAC—
SMILESNC([Se])=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C8H7N4Se/c9-7(13)12-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H3,9,10,11,12)
InChIKeyCNYZTYDWXGMFEC-UHFFFAOYSA-N
MW238.13 g/mol
LogP0.68
Rot. Bonds1

About CID 175276367

CID 175276367 (PubChem CID 175276367) has the molecular formula C8H7N4Se and a molecular weight of 238.13 g/mol.

Molecular Properties

Compound NameCID 175276367
PubChem CID175276367
Molecular FormulaC8H7N4Se
Molecular Weight238.13 g/mol
Exact Mass238.98
IUPAC Name—
SMILESNC([Se])=Nc1nc2ccccc2[nH]1
InChIInChI=1S/C8H7N4Se/c9-7(13)12-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H3,9,10,11,12)
InChIKeyCNYZTYDWXGMFEC-UHFFFAOYSA-N
XLogP0.68
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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2,3-bis(1H-benzimidazol-2-ylsulfanyl)-1-N',4-N'-dihydroxybutanediimidamide
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N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
CID 23341799
(2Z)-N'-(1H-benzimidazol-2-yl)ethanediimidoyl dicyanide
CID 135723236
N'-(6-bromo-1H-benzimidazol-2-yl)benzenecarboximidamide
CID 155686111
tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
CID 10440546
methanamine;2-methyl-1H-benzimidazole
CID 143453689
N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
CID 137229351
N'-[2-(1H-benzimidazol-2-yl)ethyl]-2-sulfanylethanimidamide;dihydrochloride
CID 131875532
N'-(1H-benzimidazol-2-yl)-N-[dimethylamino(methyl)phosphoryl]-N-phenylethanimidamide
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2-methyl-1H-benzimidazole
CID 11984

Frequently Asked Questions

What is the IUPAC name of CID 175276367?
The IUPAC name of CID 175276367 (CID 175276367) is not available.
What is the SMILES notation for CID 175276367?
The canonical SMILES for CID 175276367 is NC([Se])=Nc1nc2ccccc2[nH]1.
What is the InChIKey of CID 175276367?
The InChIKey is CNYZTYDWXGMFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N4Se/c9-7(13)12-8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H3,9,10,11,12).
What are the key properties of CID 175276367?
CID 175276367 has a molecular weight of 238.13 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175276367 is sourced from PubChem (CID 175276367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).