2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole

C20H14N4S — CID 134126891

IUPAC2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(Cn2c(-c3nc4ccccc4s3)nc3ccccc32)nc1
InChIInChI=1S/C20H14N4S/c1-3-10-17-15(8-1)22-19(24(17)13-14-7-5-6-12-21-14)20-23-16-9-2-4-11-18(16)25-20/h1-12H,13H2
InChIKeyGKPQFBSVRSBVRF-UHFFFAOYSA-N
MW342.43 g/mol
LogP4.76
Rot. Bonds3

About 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole

2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole (PubChem CID 134126891) has the molecular formula C20H14N4S and a molecular weight of 342.43 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole
PubChem CID134126891
Molecular FormulaC20H14N4S
Molecular Weight342.43 g/mol
Exact Mass342.09
IUPAC Name2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole
SMILESc1ccc(Cn2c(-c3nc4ccccc4s3)nc3ccccc32)nc1
InChIInChI=1S/C20H14N4S/c1-3-10-17-15(8-1)22-19(24(17)13-14-7-5-6-12-21-14)20-23-16-9-2-4-11-18(16)25-20/h1-12H,13H2
InChIKeyGKPQFBSVRSBVRF-UHFFFAOYSA-N
XLogP4.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-1,3-benzothiazole
CID 134126886
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 55246838
2-phenyl-1-(2-pyridin-2-ylethyl)benzimidazole
CID 12758390
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 30867708
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
CID 134859025
1-[[1-(4-methylphenyl)triazol-4-yl]methyl]-2-pyridin-2-ylbenzimidazole
CID 67473012
2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 70688122
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
pyridin-2-ylmethyl 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylate
CID 46558804

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole (CID 134126891) is 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole is c1ccc(Cn2c(-c3nc4ccccc4s3)nc3ccccc32)nc1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole?
The InChIKey is GKPQFBSVRSBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4S/c1-3-10-17-15(8-1)22-19(24(17)13-14-7-5-6-12-21-14)20-23-16-9-2-4-11-18(16)25-20/h1-12H,13H2.
What are the key properties of 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole?
2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole has a molecular weight of 342.43 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]-1,3-benzothiazole is sourced from PubChem (CID 134126891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).