4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine

C15H21N3O2 — CID 82336375

IUPAC4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
SMILESCCC(c1nc2ccc(OC)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-3-14(18-6-8-20-9-7-18)15-16-12-5-4-11(19-2)10-13(12)17-15/h4-5,10,14H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyJDTGIVNVXWAGJW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.35
Rot. Bonds4

About 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine

4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine (PubChem CID 82336375) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
PubChem CID82336375
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
SMILESCCC(c1nc2ccc(OC)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-3-14(18-6-8-20-9-7-18)15-16-12-5-4-11(19-2)10-13(12)17-15/h4-5,10,14H,3,6-9H2,1-2H3,(H,16,17)
InChIKeyJDTGIVNVXWAGJW-UHFFFAOYSA-N
XLogP2.35
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-[1-(azepan-1-yl)propyl]-6-chloro-1H-benzimidazole
CID 82336262
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
CID 82336282
2-heptan-3-yl-6-methoxy-1H-benzimidazole
CID 65019207
1-(6-methoxy-1H-benzimidazol-2-yl)-N,N-bis(prop-2-enyl)propan-1-amine
CID 82336369
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methyl-3-morpholin-4-ylpropanamide
CID 125179788
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine?
The IUPAC name of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine (CID 82336375) is 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine?
The canonical SMILES for 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine is CCC(c1nc2ccc(OC)cc2[nH]1)N1CCOCC1.
What is the InChIKey of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine?
The InChIKey is JDTGIVNVXWAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-14(18-6-8-20-9-7-18)15-16-12-5-4-11(19-2)10-13(12)17-15/h4-5,10,14H,3,6-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine?
4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine has a molecular weight of 275.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine is sourced from PubChem (CID 82336375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).