[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane

C12H10N5PS — CID 126729495

IUPAC[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane
SMILESCn1c(-c2cn3nc(P)sc3n2)nc2ccccc21
InChIInChI=1S/C12H10N5PS/c1-16-9-5-3-2-4-7(9)13-10(16)8-6-17-11(14-8)19-12(18)15-17/h2-6H,18H2,1H3
InChIKeyCQYJSUKJHZJBOD-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.84
Rot. Bonds1

About [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane

[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane (PubChem CID 126729495) has the molecular formula C12H10N5PS and a molecular weight of 287.29 g/mol. Its IUPAC name is [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane.

Molecular Properties

Compound Name[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane
PubChem CID126729495
Molecular FormulaC12H10N5PS
Molecular Weight287.29 g/mol
Exact Mass287.04
IUPAC Name[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane
SMILESCn1c(-c2cn3nc(P)sc3n2)nc2ccccc21
InChIInChI=1S/C12H10N5PS/c1-16-9-5-3-2-4-7(9)13-10(16)8-6-17-11(14-8)19-12(18)15-17/h2-6H,18H2,1H3
InChIKeyCQYJSUKJHZJBOD-UHFFFAOYSA-N
XLogP1.84
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646243
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
CID 24838920
4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-amine
CID 16789350
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
1-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]ethanone
CID 63379627
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]ethanone
CID 13177411
4-methyl-6-(1-methylbenzimidazol-2-yl)pyridine-2-carboxylic acid
CID 134595074
3-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61336692
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
CID 8005690

Frequently Asked Questions

What is the IUPAC name of [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane?
The IUPAC name of [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane (CID 126729495) is [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane.
What is the SMILES notation for [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane?
The canonical SMILES for [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane is Cn1c(-c2cn3nc(P)sc3n2)nc2ccccc21.
What is the InChIKey of [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane?
The InChIKey is CQYJSUKJHZJBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N5PS/c1-16-9-5-3-2-4-7(9)13-10(16)8-6-17-11(14-8)19-12(18)15-17/h2-6H,18H2,1H3.
What are the key properties of [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane?
[6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane has a molecular weight of 287.29 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-methylbenzimidazol-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]phosphane is sourced from PubChem (CID 126729495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).