4-[3-(3H-benzimidazol-5-yl)propyl]morpholine

C14H19N3O — CID 170870089

IUPAC4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
SMILESc1nc2ccc(CCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1(5-17-6-8-18-9-7-17)2-12-3-4-13-14(10-12)16-11-15-13/h3-4,10-11H,1-2,5-9H2,(H,15,16)
InChIKeyFXWPVRSSGACRCB-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.83
Rot. Bonds4

About 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine

4-[3-(3H-benzimidazol-5-yl)propyl]morpholine (PubChem CID 170870089) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
PubChem CID170870089
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
SMILESc1nc2ccc(CCCN3CCOCC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1(5-17-6-8-18-9-7-17)2-12-3-4-13-14(10-12)16-11-15-13/h3-4,10-11H,1-2,5-9H2,(H,15,16)
InChIKeyFXWPVRSSGACRCB-UHFFFAOYSA-N
XLogP1.83
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-quinoxalin-6-ylpropyl)morpholine
CID 170869858
6-[3-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]propyl]-1H-benzimidazole
CID 91544127
N-(3H-benzimidazol-5-ylmethyl)-1-morpholin-4-ylpropan-2-amine
CID 115607201
1-(3H-benzimidazol-5-yl)-3-(3-morpholin-4-ylpropyl)urea
CID 108885871
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
4-[3-(1H-indazol-5-yl)propyl]morpholine
CID 170870011
4-[3-(2-methylquinolin-6-yl)propyl]morpholine
CID 170870051
4-[3-(3-pyridin-2-ylphenyl)propyl]morpholine
CID 170869904
4-[3-(4-iodophenyl)propyl]morpholine
CID 143873101
4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
CID 29185404
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine?
The IUPAC name of 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine (CID 170870089) is 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine.
What is the SMILES notation for 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine?
The canonical SMILES for 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine is c1nc2ccc(CCCN3CCOCC3)cc2[nH]1.
What is the InChIKey of 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine?
The InChIKey is FXWPVRSSGACRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1(5-17-6-8-18-9-7-17)2-12-3-4-13-14(10-12)16-11-15-13/h3-4,10-11H,1-2,5-9H2,(H,15,16).
What are the key properties of 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine?
4-[3-(3H-benzimidazol-5-yl)propyl]morpholine has a molecular weight of 245.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3H-benzimidazol-5-yl)propyl]morpholine is sourced from PubChem (CID 170870089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).