1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide

C19H19N5O3S — CID 90070176

IUPAC1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide
SMILESCCCCn1c(OC)nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc21
InChIInChI=1S/C19H19N5O3S/c1-3-4-9-24-14-8-7-12(11-13(14)20-19(24)26-2)16(25)21-18-23-22-17(28-18)15-6-5-10-27-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23,25)
InChIKeyCHINTTWWKVYWRM-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.21
Rot. Bonds7

About 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide

1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide (PubChem CID 90070176) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide
PubChem CID90070176
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC Name1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide
SMILESCCCCn1c(OC)nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc21
InChIInChI=1S/C19H19N5O3S/c1-3-4-9-24-14-8-7-12(11-13(14)20-19(24)26-2)16(25)21-18-23-22-17(28-18)15-6-5-10-27-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23,25)
InChIKeyCHINTTWWKVYWRM-UHFFFAOYSA-N
XLogP4.21
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide?
The IUPAC name of 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide (CID 90070176) is 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide.
What is the SMILES notation for 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide?
The canonical SMILES for 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide is CCCCn1c(OC)nc2cc(C(=O)Nc3nnc(-c4ccco4)s3)ccc21.
What is the InChIKey of 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide?
The InChIKey is CHINTTWWKVYWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-3-4-9-24-14-8-7-12(11-13(14)20-19(24)26-2)16(25)21-18-23-22-17(28-18)15-6-5-10-27-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,23,25).
What are the key properties of 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide?
1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzimidazole-5-carboxamide is sourced from PubChem (CID 90070176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).