2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile

C12H9N5S — CID 65208570

IUPAC2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
SMILESCc1nnc(-n2c(CC#N)nc3ccccc32)s1
InChIInChI=1S/C12H9N5S/c1-8-15-16-12(18-8)17-10-5-3-2-4-9(10)14-11(17)6-7-13/h2-5H,6H2,1H3
InChIKeyLTEPSPCGMLIQQZ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.25
Rot. Bonds2

About 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile

2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile (PubChem CID 65208570) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
PubChem CID65208570
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile
SMILESCc1nnc(-n2c(CC#N)nc3ccccc32)s1
InChIInChI=1S/C12H9N5S/c1-8-15-16-12(18-8)17-10-5-3-2-4-9(10)14-11(17)6-7-13/h2-5H,6H2,1H3
InChIKeyLTEPSPCGMLIQQZ-UHFFFAOYSA-N
XLogP2.25
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-methylpyrazin-2-yl)benzimidazol-2-yl]acetonitrile
CID 83062998
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]benzimidazol-2-yl]acetonitrile
CID 107305990
2-[2-(cyanomethyl)benzimidazol-1-yl]-3-methylbenzonitrile
CID 107107391
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
2-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]benzimidazol-2-yl]acetonitrile
CID 80639228
2-[1-[4-(aminomethyl)-3-methylphenyl]benzimidazol-2-yl]acetonitrile
CID 63640861
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-[1-(5-bromo-4-methoxypyrimidin-2-yl)benzimidazol-2-yl]acetonitrile
CID 106999135
3-amino-4-[2-(cyanomethyl)benzimidazol-1-yl]benzonitrile
CID 63641017
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-(2-amino-3-fluorophenyl)benzimidazol-2-yl]acetonitrile
CID 63638967
3-amino-6-[2-(cyanomethyl)benzimidazol-1-yl]pyridine-2-carbonitrile
CID 103469387

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile (CID 65208570) is 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile is Cc1nnc(-n2c(CC#N)nc3ccccc32)s1.
What is the InChIKey of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile?
The InChIKey is LTEPSPCGMLIQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c1-8-15-16-12(18-8)17-10-5-3-2-4-9(10)14-11(17)6-7-13/h2-5H,6H2,1H3.
What are the key properties of 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile?
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile has a molecular weight of 255.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 65208570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).