4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C16H12BrN5O — CID 1239239

IUPAC4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C16H12BrN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
InChIKeyNSIJURZMDSCFBL-UHFFFAOYSA-N
MW370.21 g/mol
LogP3.48
Rot. Bonds3

About 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 1239239) has the molecular formula C16H12BrN5O and a molecular weight of 370.21 g/mol. Its IUPAC name is 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID1239239
Molecular FormulaC16H12BrN5O
Molecular Weight370.21 g/mol
Exact Mass369.02
IUPAC Name4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc(Br)c1
InChIInChI=1S/C16H12BrN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
InChIKeyNSIJURZMDSCFBL-UHFFFAOYSA-N
XLogP3.48
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 1239239) is 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1cccc(Br)c1.
What is the InChIKey of 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is NSIJURZMDSCFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21).
What are the key properties of 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 370.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 1239239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).