2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

C17H12BrN5O2 — CID 1299946

IUPAC2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCn1c(-c2nonc2NC(=O)c2ccccc2Br)nc2ccccc21
InChIInChI=1S/C17H12BrN5O2/c1-23-13-9-5-4-8-12(13)19-16(23)14-15(22-25-21-14)20-17(24)10-6-2-3-7-11(10)18/h2-9H,1H3,(H,20,22,24)
InChIKeyNNHLMYJYETTWQS-UHFFFAOYSA-N
MW398.22 g/mol
LogP3.64
Rot. Bonds3

About 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide

2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 1299946) has the molecular formula C17H12BrN5O2 and a molecular weight of 398.22 g/mol. Its IUPAC name is 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID1299946
Molecular FormulaC17H12BrN5O2
Molecular Weight398.22 g/mol
Exact Mass397.02
IUPAC Name2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCn1c(-c2nonc2NC(=O)c2ccccc2Br)nc2ccccc21
InChIInChI=1S/C17H12BrN5O2/c1-23-13-9-5-4-8-12(13)19-16(23)14-15(22-25-21-14)20-17(24)10-6-2-3-7-11(10)18/h2-9H,1H3,(H,20,22,24)
InChIKeyNNHLMYJYETTWQS-UHFFFAOYSA-N
XLogP3.64
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
CID 594100
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
CID 1018254
2-bromo-N-(4-thiophen-2-yl-1,2,5-oxadiazol-3-yl)benzamide
CID 7709568
N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 1280079
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
CID 1349987
N-[4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]propanamide
CID 1080256
N-[4-(1-ethylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2,2,2-trifluoroacetamide
CID 10215170
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 56694854
N-[4-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
CID 3149473
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (CID 1299946) is 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is Cn1c(-c2nonc2NC(=O)c2ccccc2Br)nc2ccccc21.
What is the InChIKey of 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is NNHLMYJYETTWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN5O2/c1-23-13-9-5-4-8-12(13)19-16(23)14-15(22-25-21-14)20-17(24)10-6-2-3-7-11(10)18/h2-9H,1H3,(H,20,22,24).
What are the key properties of 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 398.22 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 1299946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).