4-(1H-benzimidazol-2-ylmethyl)morpholine

C12H15N3O — CID 825322

IUPAC4-(1H-benzimidazol-2-ylmethyl)morpholine
SMILESc1ccc2[nH]c(CN3CCOCC3)nc2c1
InChIInChI=1S/C12H15N3O/c1-2-4-11-10(3-1)13-12(14-11)9-15-5-7-16-8-6-15/h1-4H,5-9H2,(H,13,14)
InChIKeyWBDCCRNAPCOHAV-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.40
Rot. Bonds2

About 4-(1H-benzimidazol-2-ylmethyl)morpholine

4-(1H-benzimidazol-2-ylmethyl)morpholine (PubChem CID 825322) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylmethyl)morpholine
PubChem CID825322
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(1H-benzimidazol-2-ylmethyl)morpholine
SMILESc1ccc2[nH]c(CN3CCOCC3)nc2c1
InChIInChI=1S/C12H15N3O/c1-2-4-11-10(3-1)13-12(14-11)9-15-5-7-16-8-6-15/h1-4H,5-9H2,(H,13,14)
InChIKeyWBDCCRNAPCOHAV-UHFFFAOYSA-N
XLogP1.40
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)morpholine?
The IUPAC name of 4-(1H-benzimidazol-2-ylmethyl)morpholine (CID 825322) is 4-(1H-benzimidazol-2-ylmethyl)morpholine.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylmethyl)morpholine?
The canonical SMILES for 4-(1H-benzimidazol-2-ylmethyl)morpholine is c1ccc2[nH]c(CN3CCOCC3)nc2c1.
What is the InChIKey of 4-(1H-benzimidazol-2-ylmethyl)morpholine?
The InChIKey is WBDCCRNAPCOHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-4-11-10(3-1)13-12(14-11)9-15-5-7-16-8-6-15/h1-4H,5-9H2,(H,13,14).
What are the key properties of 4-(1H-benzimidazol-2-ylmethyl)morpholine?
4-(1H-benzimidazol-2-ylmethyl)morpholine has a molecular weight of 217.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 825322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).