2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine

C13H17N3O — CID 116868529

IUPAC2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
SMILESc1nc2ccc(CCC3CNCCO3)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1(3-11-8-14-5-6-17-11)10-2-4-12-13(7-10)16-9-15-12/h2,4,7,9,11,14H,1,3,5-6,8H2,(H,15,16)
InChIKeyKXOGLFLEMZDCPL-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds3

About 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine

2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine (PubChem CID 116868529) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine.

Molecular Properties

Compound Name2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
PubChem CID116868529
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine
SMILESc1nc2ccc(CCC3CNCCO3)cc2[nH]1
InChIInChI=1S/C13H17N3O/c1(3-11-8-14-5-6-17-11)10-2-4-12-13(7-10)16-9-15-12/h2,4,7,9,11,14H,1,3,5-6,8H2,(H,15,16)
InChIKeyKXOGLFLEMZDCPL-UHFFFAOYSA-N
XLogP1.48
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530
6-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 116925639
N-(3H-benzimidazol-5-ylmethyl)pyrrolidin-3-amine
CID 115118875
2-[2-(4-tert-butylphenyl)ethyl]morpholine
CID 83652133
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
6-(2-morpholin-2-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116868515
6-[(1-methylpiperazin-2-yl)methyl]-1H-benzimidazole
CID 116928065
4-[3-(3H-benzimidazol-5-yl)propyl]morpholine
CID 170870089
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
6-pentyl-1H-benzimidazole
CID 58767911
6-(3-methylbutyl)-1H-benzimidazole
CID 58439474

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine?
The IUPAC name of 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine (CID 116868529) is 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine.
What is the SMILES notation for 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine?
The canonical SMILES for 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine is c1nc2ccc(CCC3CNCCO3)cc2[nH]1.
What is the InChIKey of 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine?
The InChIKey is KXOGLFLEMZDCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1(3-11-8-14-5-6-17-11)10-2-4-12-13(7-10)16-9-15-12/h2,4,7,9,11,14H,1,3,5-6,8H2,(H,15,16).
What are the key properties of 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine?
2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine has a molecular weight of 231.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3H-benzimidazol-5-yl)ethyl]morpholine is sourced from PubChem (CID 116868529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).