4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine

C12H13N5O — CID 21226741

IUPAC4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine
SMILESc1nc2cc3nc(N4CCOCC4)[nH]c3cc2[nH]1
InChIInChI=1S/C12H13N5O/c1-3-18-4-2-17(1)12-15-10-5-8-9(14-7-13-8)6-11(10)16-12/h5-7H,1-4H2,(H,13,14)(H,15,16)
InChIKeyJXGTZIYPJLWEDW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.28
Rot. Bonds1

About 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine

4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine (PubChem CID 21226741) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine
PubChem CID21226741
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine
SMILESc1nc2cc3nc(N4CCOCC4)[nH]c3cc2[nH]1
InChIInChI=1S/C12H13N5O/c1-3-18-4-2-17(1)12-15-10-5-8-9(14-7-13-8)6-11(10)16-12/h5-7H,1-4H2,(H,13,14)(H,15,16)
InChIKeyJXGTZIYPJLWEDW-UHFFFAOYSA-N
XLogP1.28
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine?
The IUPAC name of 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine (CID 21226741) is 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine.
What is the SMILES notation for 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine?
The canonical SMILES for 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine is c1nc2cc3nc(N4CCOCC4)[nH]c3cc2[nH]1.
What is the InChIKey of 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine?
The InChIKey is JXGTZIYPJLWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-3-18-4-2-17(1)12-15-10-5-8-9(14-7-13-8)6-11(10)16-12/h5-7H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine?
4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine has a molecular weight of 243.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dihydroimidazo[4,5-f]benzimidazol-2-yl)morpholine is sourced from PubChem (CID 21226741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).