1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile

C12H9N5S — CID 65215977

IUPAC1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile
SMILESCCn1c(-c2csnn2)nc2cc(C#N)ccc21
InChIInChI=1S/C12H9N5S/c1-2-17-11-4-3-8(6-13)5-9(11)14-12(17)10-7-18-16-15-10/h3-5,7H,2H2,1H3
InChIKeyFPNJOGJOQKPEAI-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.45
Rot. Bonds2

About 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile

1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile (PubChem CID 65215977) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile
PubChem CID65215977
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile
SMILESCCn1c(-c2csnn2)nc2cc(C#N)ccc21
InChIInChI=1S/C12H9N5S/c1-2-17-11-4-3-8(6-13)5-9(11)14-12(17)10-7-18-16-15-10/h3-5,7H,2H2,1H3
InChIKeyFPNJOGJOQKPEAI-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
CID 102922935
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
2-(3-chloro-5-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 81315845
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65309133
1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104786689
1-ethyl-2-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040248
2-(4-methylphenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040444
2-(5-methylthiophen-2-yl)-1-propylbenzimidazole-5-carbonitrile
CID 65040636

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile (CID 65215977) is 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile is CCn1c(-c2csnn2)nc2cc(C#N)ccc21.
What is the InChIKey of 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile?
The InChIKey is FPNJOGJOQKPEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c1-2-17-11-4-3-8(6-13)5-9(11)14-12(17)10-7-18-16-15-10/h3-5,7H,2H2,1H3.
What are the key properties of 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile?
1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile has a molecular weight of 255.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65215977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).