6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide

C17H18FN5O2 — CID 51090875

IUPAC6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc(F)cc4[nH]cnc34)CCCCC2)no1
InChIInChI=1S/C17H18FN5O2/c1-10-21-16(23-25-10)17(5-3-2-4-6-17)22-15(24)12-7-11(18)8-13-14(12)20-9-19-13/h7-9H,2-6H2,1H3,(H,19,20)(H,22,24)
InChIKeyJRVFGJBDSZJHLD-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.98
Rot. Bonds3

About 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide (PubChem CID 51090875) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide
PubChem CID51090875
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide
SMILESCc1nc(C2(NC(=O)c3cc(F)cc4[nH]cnc34)CCCCC2)no1
InChIInChI=1S/C17H18FN5O2/c1-10-21-16(23-25-10)17(5-3-2-4-6-17)22-15(24)12-7-11(18)8-13-14(12)20-9-19-13/h7-9H,2-6H2,1H3,(H,19,20)(H,22,24)
InChIKeyJRVFGJBDSZJHLD-UHFFFAOYSA-N
XLogP2.98
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide (CID 51090875) is 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide is Cc1nc(C2(NC(=O)c3cc(F)cc4[nH]cnc34)CCCCC2)no1.
What is the InChIKey of 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is JRVFGJBDSZJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10-21-16(23-25-10)17(5-3-2-4-6-17)22-15(24)12-7-11(18)8-13-14(12)20-9-19-13/h7-9H,2-6H2,1H3,(H,19,20)(H,22,24).
What are the key properties of 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 51090875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).