5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole

C13H13ClN4S — CID 112683284

IUPAC5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
SMILESCCCc1nc2ccccc2n1Cc1nnsc1Cl
InChIInChI=1S/C13H13ClN4S/c1-2-5-12-15-9-6-3-4-7-11(9)18(12)8-10-13(14)19-17-16-10/h3-4,6-7H,2,5,8H2,1H3
InChIKeyZMBWZCYMIQVSCR-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.54
Rot. Bonds4

About 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole

5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole (PubChem CID 112683284) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
PubChem CID112683284
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole
SMILESCCCc1nc2ccccc2n1Cc1nnsc1Cl
InChIInChI=1S/C13H13ClN4S/c1-2-5-12-15-9-6-3-4-7-11(9)18(12)8-10-13(14)19-17-16-10/h3-4,6-7H,2,5,8H2,1H3
InChIKeyZMBWZCYMIQVSCR-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 115971046
1-benzyl-2-propylbenzimidazole
CID 764560
4-[(2-ethylbenzimidazol-1-yl)methyl]thiadiazol-5-amine
CID 55177426
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
2-propyl-1-(pyrimidin-2-ylmethyl)benzimidazole
CID 116626997
1-[(4-iodophenyl)methyl]-2-propylbenzimidazole
CID 115970804
1-[(5-chloro-2-fluorophenyl)methyl]-2-propylbenzimidazole
CID 103050144
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-propylbenzimidazole
CID 116627005
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylbenzimidazole
CID 116627019
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
1-[(1-ethylimidazol-2-yl)methyl]-2-propylbenzimidazole
CID 116626980

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole (CID 112683284) is 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole is CCCc1nc2ccccc2n1Cc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole?
The InChIKey is ZMBWZCYMIQVSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4S/c1-2-5-12-15-9-6-3-4-7-11(9)18(12)8-10-13(14)19-17-16-10/h3-4,6-7H,2,5,8H2,1H3.
What are the key properties of 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole?
5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole has a molecular weight of 292.80 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(2-propylbenzimidazol-1-yl)methyl]thiadiazole is sourced from PubChem (CID 112683284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).