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

C17H12ClN5O2 — CID 594100

IUPAC2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C17H12ClN5O2/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)
InChIKeyDGKDWSQAHADIBC-UHFFFAOYSA-N
MW353.77 g/mol
LogP3.53
Rot. Bonds3

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

2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 594100) has the molecular formula C17H12ClN5O2 and a molecular weight of 353.77 g/mol. Its IUPAC name is 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID594100
Molecular FormulaC17H12ClN5O2
Molecular Weight353.77 g/mol
Exact Mass353.07
IUPAC Name2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21
InChIInChI=1S/C17H12ClN5O2/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)
InChIKeyDGKDWSQAHADIBC-UHFFFAOYSA-N
XLogP3.53
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide (CID 594100) is 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is Cn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21.
What is the InChIKey of 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is DGKDWSQAHADIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O2/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-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide?
2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 353.77 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 594100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).