4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

C15H19N3O — CID 166197861

IUPAC4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCn1c(N2CCOC3CCCC32)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-17-12-6-3-2-5-11(12)16-15(17)18-9-10-19-14-8-4-7-13(14)18/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyCDXRBQFHOGMZJN-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.33
Rot. Bonds1

About 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (PubChem CID 166197861) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
PubChem CID166197861
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
SMILESCn1c(N2CCOC3CCCC32)nc2ccccc21
InChIInChI=1S/C15H19N3O/c1-17-12-6-3-2-5-11(12)16-15(17)18-9-10-19-14-8-4-7-13(14)18/h2-3,5-6,13-14H,4,7-10H2,1H3
InChIKeyCDXRBQFHOGMZJN-UHFFFAOYSA-N
XLogP2.33
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine (CID 166197861) is 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is Cn1c(N2CCOC3CCCC32)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
The InChIKey is CDXRBQFHOGMZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-17-12-6-3-2-5-11(12)16-15(17)18-9-10-19-14-8-4-7-13(14)18/h2-3,5-6,13-14H,4,7-10H2,1H3.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine?
4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine has a molecular weight of 257.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine is sourced from PubChem (CID 166197861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).