4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine

C16H17N3O — CID 655413

IUPAC4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine
SMILESc1ccc2cc3[nH]c(CN4CCOCC4)nc3cc2c1
InChIInChI=1S/C16H17N3O/c1-2-4-13-10-15-14(9-12(13)3-1)17-16(18-15)11-19-5-7-20-8-6-19/h1-4,9-10H,5-8,11H2,(H,17,18)
InChIKeyZRSGUNKXJWMIDQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.55
Rot. Bonds2

About 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine

4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine (PubChem CID 655413) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine
PubChem CID655413
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine
SMILESc1ccc2cc3[nH]c(CN4CCOCC4)nc3cc2c1
InChIInChI=1S/C16H17N3O/c1-2-4-13-10-15-14(9-12(13)3-1)17-16(18-15)11-19-5-7-20-8-6-19/h1-4,9-10H,5-8,11H2,(H,17,18)
InChIKeyZRSGUNKXJWMIDQ-UHFFFAOYSA-N
XLogP2.55
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine?
The IUPAC name of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine (CID 655413) is 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine.
What is the SMILES notation for 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine?
The canonical SMILES for 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine is c1ccc2cc3[nH]c(CN4CCOCC4)nc3cc2c1.
What is the InChIKey of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine?
The InChIKey is ZRSGUNKXJWMIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-2-4-13-10-15-14(9-12(13)3-1)17-16(18-15)11-19-5-7-20-8-6-19/h1-4,9-10H,5-8,11H2,(H,17,18).
What are the key properties of 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine?
4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine has a molecular weight of 267.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzo[f]benzimidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 655413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).