N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide

C15H17N5OS — CID 2501787

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C15H17N5OS/c1-2-3-4-5-13-19-20-15(22-13)18-14(21)10-6-7-11-12(8-10)17-9-16-11/h6-9H,2-5H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyIYBOHPGABAVKDC-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.40
Rot. Bonds6

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 2501787) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID2501787
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc3nc[nH]c3c2)s1
InChIInChI=1S/C15H17N5OS/c1-2-3-4-5-13-19-20-15(22-13)18-14(21)10-6-7-11-12(8-10)17-9-16-11/h6-9H,2-5H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyIYBOHPGABAVKDC-UHFFFAOYSA-N
XLogP3.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 2501787) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is CCCCCc1nnc(NC(=O)c2ccc3nc[nH]c3c2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is IYBOHPGABAVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c1-2-3-4-5-13-19-20-15(22-13)18-14(21)10-6-7-11-12(8-10)17-9-16-11/h6-9H,2-5H2,1H3,(H,16,17)(H,18,20,21).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2501787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).