(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole

C16H16N2S — CID 6534293

IUPAC(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCCCC#C/C=C1/Cn2c(nc3ccccc32)S1
InChIInChI=1S/C16H16N2S/c1-2-3-4-5-6-9-13-12-18-15-11-8-7-10-14(15)17-16(18)19-13/h7-11H,2-4,12H2,1H3/b13-9-
InChIKeyYGVDGUFVTSBVLS-LCYFTJDESA-N
MW268.38 g/mol
LogP4.22
Rot. Bonds2

About (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole

(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 6534293) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID6534293
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCCCCC#C/C=C1/Cn2c(nc3ccccc32)S1
InChIInChI=1S/C16H16N2S/c1-2-3-4-5-6-9-13-12-18-15-11-8-7-10-14(15)17-16(18)19-13/h7-11H,2-4,12H2,1H3/b13-9-
InChIKeyYGVDGUFVTSBVLS-LCYFTJDESA-N
XLogP4.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one
CID 156583377
2-methylsulfanyl-1-pentylbenzimidazole
CID 112774737
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
3-(2-nonylbenzimidazol-1-yl)propanenitrile
CID 3414189
2-benzylsulfanyl-1-butylbenzimidazole
CID 46731856
(1-pentylbenzimidazol-2-yl)hydrazine
CID 4136867
1-butyl-2-[1-(1-butylbenzimidazol-2-yl)butyl]benzimidazole
CID 101260842
1-ethyl-2-pentylbenzimidazole
CID 3463966
3-butyl-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
CID 5150405
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
3-(2-propylbenzimidazol-1-yl)propanenitrile
CID 15259068

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole (CID 6534293) is (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole is CCCCC#C/C=C1/Cn2c(nc3ccccc32)S1.
What is the InChIKey of (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is YGVDGUFVTSBVLS-LCYFTJDESA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-3-4-5-6-9-13-12-18-15-11-8-7-10-14(15)17-16(18)19-13/h7-11H,2-4,12H2,1H3/b13-9-.
What are the key properties of (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole?
(2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 268.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hept-2-ynylidene-1H-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 6534293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).