2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide

C16H11N5O3 — CID 44542063

IUPAC2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4n[nH]c(=O)o4)cc3)nc12
InChIInChI=1S/C16H11N5O3/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-21-16(23)24-15/h1-7H,(H2,17,22)(H,18,19)(H,21,23)
InChIKeyWTEFBFCLSKUJIB-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.67
Rot. Bonds3

About 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide

2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44542063) has the molecular formula C16H11N5O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID44542063
Molecular FormulaC16H11N5O3
Molecular Weight321.30 g/mol
Exact Mass321.09
IUPAC Name2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(-c3ccc(-c4n[nH]c(=O)o4)cc3)nc12
InChIInChI=1S/C16H11N5O3/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-21-16(23)24-15/h1-7H,(H2,17,22)(H,18,19)(H,21,23)
InChIKeyWTEFBFCLSKUJIB-UHFFFAOYSA-N
XLogP1.67
TPSA130.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 44542063) is 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(-c3ccc(-c4n[nH]c(=O)o4)cc3)nc12.
What is the InChIKey of 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is WTEFBFCLSKUJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3/c17-13(22)10-2-1-3-11-12(10)19-14(18-11)8-4-6-9(7-5-8)15-20-21-16(23)24-15/h1-7H,(H2,17,22)(H,18,19)(H,21,23).
What are the key properties of 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 321.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3H-1,3,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44542063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).