morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone

C12H17N3O2 — CID 100660021

IUPACmorpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
SMILESO=C([C@@H]1CCc2nc[nH]c2C1)N1CCOCC1
InChIInChI=1S/C12H17N3O2/c16-12(15-3-5-17-6-4-15)9-1-2-10-11(7-9)14-8-13-10/h8-9H,1-7H2,(H,13,14)/t9-/m1/s1
InChIKeyRLGJFGRNGSJZKA-SECBINFHSA-N
MW235.29 g/mol
LogP0.37
Rot. Bonds1

About morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone

morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone (PubChem CID 100660021) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
PubChem CID100660021
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Namemorpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone
SMILESO=C([C@@H]1CCc2nc[nH]c2C1)N1CCOCC1
InChIInChI=1S/C12H17N3O2/c16-12(15-3-5-17-6-4-15)9-1-2-10-11(7-9)14-8-13-10/h8-9H,1-7H2,(H,13,14)/t9-/m1/s1
InChIKeyRLGJFGRNGSJZKA-SECBINFHSA-N
XLogP0.37
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?
The IUPAC name of morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone (CID 100660021) is morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone is O=C([C@@H]1CCc2nc[nH]c2C1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?
The InChIKey is RLGJFGRNGSJZKA-SECBINFHSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12(15-3-5-17-6-4-15)9-1-2-10-11(7-9)14-8-13-10/h8-9H,1-7H2,(H,13,14)/t9-/m1/s1.
What are the key properties of morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone?
morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone has a molecular weight of 235.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(5R)-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 100660021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).