(5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C14H19N5O2 — CID 100661757

IUPAC(5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(CCCNC(=O)[C@H]2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C14H19N5O2/c1-9-18-13(21-19-9)3-2-6-15-14(20)10-4-5-11-12(7-10)17-8-16-11/h8,10H,2-7H2,1H3,(H,15,20)(H,16,17)/t10-/m0/s1
InChIKeyWJNWENXZMAQOEY-JTQLQIEISA-N
MW289.34 g/mol
LogP0.96
Rot. Bonds5

About (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

(5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 100661757) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID100661757
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name(5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESCc1noc(CCCNC(=O)[C@H]2CCc3nc[nH]c3C2)n1
InChIInChI=1S/C14H19N5O2/c1-9-18-13(21-19-9)3-2-6-15-14(20)10-4-5-11-12(7-10)17-8-16-11/h8,10H,2-7H2,1H3,(H,15,20)(H,16,17)/t10-/m0/s1
InChIKeyWJNWENXZMAQOEY-JTQLQIEISA-N
XLogP0.96
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 100661757) is (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is Cc1noc(CCCNC(=O)[C@H]2CCc3nc[nH]c3C2)n1.
What is the InChIKey of (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is WJNWENXZMAQOEY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-9-18-13(21-19-9)3-2-6-15-14(20)10-4-5-11-12(7-10)17-8-16-11/h8,10H,2-7H2,1H3,(H,15,20)(H,16,17)/t10-/m0/s1.
What are the key properties of (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
(5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 100661757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).