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

C13H12N6S — CID 63640515

IUPAC2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
SMILESCNc1snnc1Cn1c(CC#N)nc2ccccc21
InChIInChI=1S/C13H12N6S/c1-15-13-10(17-18-20-13)8-19-11-5-3-2-4-9(11)16-12(19)6-7-14/h2-5,15H,6,8H2,1H3
InChIKeyCWFHGCRBAMUNTJ-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.04
Rot. Bonds4

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

2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile (PubChem CID 63640515) has the molecular formula C13H12N6S and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
PubChem CID63640515
Molecular FormulaC13H12N6S
Molecular Weight284.35 g/mol
Exact Mass284.08
IUPAC Name2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile
SMILESCNc1snnc1Cn1c(CC#N)nc2ccccc21
InChIInChI=1S/C13H12N6S/c1-15-13-10(17-18-20-13)8-19-11-5-3-2-4-9(11)16-12(19)6-7-14/h2-5,15H,6,8H2,1H3
InChIKeyCWFHGCRBAMUNTJ-UHFFFAOYSA-N
XLogP2.04
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 115971046
2-[1-[[6-(methylamino)-3-pyridinyl]methyl]benzimidazol-2-yl]acetonitrile
CID 63640165
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(methylamino)propanenitrile
CID 63641541
4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 55177426
2-(1-but-2-ynylbenzimidazol-2-yl)acetonitrile
CID 63637903
2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 63638416
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
CID 112683284
2-[1-[(2S)-2-hydroxypropyl]benzimidazol-2-yl]acetonitrile
CID 830151
2-[1-[2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]acetonitrile
CID 63640682
3-[2-(cyanomethyl)benzimidazol-1-yl]-2-(ethylamino)-2-methylpropanenitrile
CID 63639152
2-[1-[(3-amino-5-bromophenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 103350130

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile (CID 63640515) is 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile is CNc1snnc1Cn1c(CC#N)nc2ccccc21.
What is the InChIKey of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile?
The InChIKey is CWFHGCRBAMUNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6S/c1-15-13-10(17-18-20-13)8-19-11-5-3-2-4-9(11)16-12(19)6-7-14/h2-5,15H,6,8H2,1H3.
What are the key properties of 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile?
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile has a molecular weight of 284.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63640515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).