6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione

C15H15N3S — CID 43661027

IUPAC6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2C(C)c1cccnc1
InChIInChI=1S/C15H15N3S/c1-10-5-6-14-13(8-10)17-15(19)18(14)11(2)12-4-3-7-16-9-12/h3-9,11H,1-2H3,(H,17,19)
InChIKeyCEIDNIYSSCENAP-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.01
Rot. Bonds2

About 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione

6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione (PubChem CID 43661027) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione.

Molecular Properties

Compound Name6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
PubChem CID43661027
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
SMILESCc1ccc2c(c1)[nH]c(=S)n2C(C)c1cccnc1
InChIInChI=1S/C15H15N3S/c1-10-5-6-14-13(8-10)17-15(19)18(14)11(2)12-4-3-7-16-9-12/h3-9,11H,1-2H3,(H,17,19)
InChIKeyCEIDNIYSSCENAP-UHFFFAOYSA-N
XLogP4.01
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-5-methoxy-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 63598387
6-methyl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 62117746
3-(1-pyridin-3-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290115
7-fluoro-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 60790254
6-bromo-3-(1-pyridin-3-ylethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306169
6-chloro-3-(1-pyridin-4-ylethyl)-1H-benzimidazole-2-thione
CID 43659566
3-[1-(2,4-dichlorophenyl)ethyl]-6-methyl-1H-benzimidazole-2-thione
CID 43659967
6-methoxy-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-benzimidazole-2-thione
CID 106389027
6-methyl-3-(2-phenylpropyl)-1H-benzimidazole-2-thione
CID 104591837
3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302146
1-[1-(2,4-dichlorophenyl)ethyl]-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295274
6-methyl-3-(3-methyl-2-propan-2-ylbutyl)-1H-benzimidazole-2-thione
CID 102906761

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione?
The IUPAC name of 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione (CID 43661027) is 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione.
What is the SMILES notation for 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione?
The canonical SMILES for 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione is Cc1ccc2c(c1)[nH]c(=S)n2C(C)c1cccnc1.
What is the InChIKey of 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione?
The InChIKey is CEIDNIYSSCENAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-5-6-14-13(8-10)17-15(19)18(14)11(2)12-4-3-7-16-9-12/h3-9,11H,1-2H3,(H,17,19).
What are the key properties of 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione?
6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione has a molecular weight of 269.37 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1-pyridin-3-ylethyl)-1H-benzimidazole-2-thione is sourced from PubChem (CID 43661027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).