3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide

C14H14ClN5O2 — CID 46968562

IUPAC3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nonc1CNC(=O)CCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H14ClN5O2/c1-8-12(20-22-19-8)7-16-14(21)5-4-13-17-10-3-2-9(15)6-11(10)18-13/h2-3,6H,4-5,7H2,1H3,(H,16,21)(H,17,18)
InChIKeyZRYYBIBAXSMPQX-UHFFFAOYSA-N
MW319.75 g/mol
LogP2.16
Rot. Bonds5

About 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide

3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide (PubChem CID 46968562) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
PubChem CID46968562
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide
SMILESCc1nonc1CNC(=O)CCc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C14H14ClN5O2/c1-8-12(20-22-19-8)7-16-14(21)5-4-13-17-10-3-2-9(15)6-11(10)18-13/h2-3,6H,4-5,7H2,1H3,(H,16,21)(H,17,18)
InChIKeyZRYYBIBAXSMPQX-UHFFFAOYSA-N
XLogP2.16
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,5-dichlorophenyl)methyl]butanamide
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N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2,6-dimethylpyrimidine-4-carboxamide
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2-(4-chloro-2-methylphenoxy)-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]acetamide
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N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
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3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
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3-(6-fluoro-1H-benzimidazol-2-yl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]propanamide
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2-(6-chloro-1H-benzimidazol-2-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
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2-(6-chloro-1H-benzimidazol-2-yl)-N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide (CID 46968562) is 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide is Cc1nonc1CNC(=O)CCc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide?
The InChIKey is ZRYYBIBAXSMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-8-12(20-22-19-8)7-16-14(21)5-4-13-17-10-3-2-9(15)6-11(10)18-13/h2-3,6H,4-5,7H2,1H3,(H,16,21)(H,17,18).
What are the key properties of 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide?
3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide has a molecular weight of 319.75 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]propanamide is sourced from PubChem (CID 46968562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).