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

C17H13N5O2 — CID 44541772

IUPAC2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
InChIInChI=1S/C17H13N5O2/c1-9-19-17(24-22-9)11-7-5-10(6-8-11)16-20-13-4-2-3-12(15(18)23)14(13)21-16/h2-8H,1H3,(H2,18,23)(H,20,21)
InChIKeyBPNJEMFERBFYRB-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.69
Rot. Bonds3

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

2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 44541772) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID44541772
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
InChIInChI=1S/C17H13N5O2/c1-9-19-17(24-22-9)11-7-5-10(6-8-11)16-20-13-4-2-3-12(15(18)23)14(13)21-16/h2-8H,1H3,(H2,18,23)(H,20,21)
InChIKeyBPNJEMFERBFYRB-UHFFFAOYSA-N
XLogP2.69
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 44541772) is 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is Cc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1.
What is the InChIKey of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is BPNJEMFERBFYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-9-19-17(24-22-9)11-7-5-10(6-8-11)16-20-13-4-2-3-12(15(18)23)14(13)21-16/h2-8H,1H3,(H2,18,23)(H,20,21).
What are the key properties of 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 44541772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).