2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide

C14H16N4O2 — CID 25229986

IUPAC2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3COC4(CC4)CN3)nc12
InChIInChI=1S/C14H16N4O2/c15-12(19)8-2-1-3-9-11(8)18-13(17-9)10-6-20-14(4-5-14)7-16-10/h1-3,10,16H,4-7H2,(H2,15,19)(H,17,18)
InChIKeyRSLOVWUPIRNVQS-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.86
Rot. Bonds2

About 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide

2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 25229986) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide
PubChem CID25229986
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3COC4(CC4)CN3)nc12
InChIInChI=1S/C14H16N4O2/c15-12(19)8-2-1-3-9-11(8)18-13(17-9)10-6-20-14(4-5-14)7-16-10/h1-3,10,16H,4-7H2,(H2,15,19)(H,17,18)
InChIKeyRSLOVWUPIRNVQS-UHFFFAOYSA-N
XLogP0.86
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide (CID 25229986) is 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3COC4(CC4)CN3)nc12.
What is the InChIKey of 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is RSLOVWUPIRNVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-12(19)8-2-1-3-9-11(8)18-13(17-9)10-6-20-14(4-5-14)7-16-10/h1-3,10,16H,4-7H2,(H2,15,19)(H,17,18).
What are the key properties of 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide?
2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxa-7-azaspiro[2.5]octan-6-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 25229986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).