1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one

C15H19N5OS — CID 126788482

IUPAC1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(Cc2nsc(N(C)C)n2)c2ccccc21
InChIInChI=1S/C15H19N5OS/c1-4-9-19-11-7-5-6-8-12(11)20(15(19)21)10-13-16-14(18(2)3)22-17-13/h5-8H,4,9-10H2,1-3H3
InChIKeyABLTXUFBOHPWOC-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.18
Rot. Bonds5

About 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one

1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one (PubChem CID 126788482) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one
PubChem CID126788482
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one
SMILESCCCn1c(=O)n(Cc2nsc(N(C)C)n2)c2ccccc21
InChIInChI=1S/C15H19N5OS/c1-4-9-19-11-7-5-6-8-12(11)20(15(19)21)10-13-16-14(18(2)3)22-17-13/h5-8H,4,9-10H2,1-3H3
InChIKeyABLTXUFBOHPWOC-UHFFFAOYSA-N
XLogP2.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one
CID 51074836
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-3-propylbenzimidazol-2-one
CID 31522663
1-(5-oxohexyl)-3-propylbenzimidazol-2-one
CID 62024547
1-(4-oxohexyl)-3-propylbenzimidazol-2-one
CID 106801721
1-(2-cyclopentyl-2-oxoethyl)-3-propylbenzimidazol-2-one
CID 104751301
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(1-pyridin-4-ylethyl)propanamide
CID 60571275
N-(4-acetyl-1,3-thiazol-2-yl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 24524945
N-methyl-3-(2-oxo-3-propylbenzimidazol-1-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 134008720
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-propylbenzimidazol-2-one
CID 9184011
3-(2-oxo-3-propylbenzimidazol-1-yl)-N-quinolin-2-ylpropanamide
CID 55450942
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 46645908

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one?
The IUPAC name of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one (CID 126788482) is 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one.
What is the SMILES notation for 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one?
The canonical SMILES for 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one is CCCn1c(=O)n(Cc2nsc(N(C)C)n2)c2ccccc21.
What is the InChIKey of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one?
The InChIKey is ABLTXUFBOHPWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-4-9-19-11-7-5-6-8-12(11)20(15(19)21)10-13-16-14(18(2)3)22-17-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one?
1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one has a molecular weight of 317.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one is sourced from PubChem (CID 126788482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).