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

C14H19N3O — CID 82336424

IUPAC4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
SMILESCCC(c1nc2ccccc2[nH]1)N1CCOCC1
InChIInChI=1S/C14H19N3O/c1-2-13(17-7-9-18-10-8-17)14-15-11-5-3-4-6-12(11)16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
InChIKeyPYDTUYFHTYFAHB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.35
Rot. Bonds3

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

4-[1-(1H-benzimidazol-2-yl)propyl]morpholine (PubChem CID 82336424) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
PubChem CID82336424
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
SMILESCCC(c1nc2ccccc2[nH]1)N1CCOCC1
InChIInChI=1S/C14H19N3O/c1-2-13(17-7-9-18-10-8-17)14-15-11-5-3-4-6-12(11)16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
InChIKeyPYDTUYFHTYFAHB-UHFFFAOYSA-N
XLogP2.35
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
CID 82336375
2-[1-(1H-benzimidazol-2-yl)propyl]-3,4-dihydro-1H-isoquinoline
CID 82336406
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-morpholin-4-ylacetamide
CID 97341345
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
CID 82336117
2-[1-(azepan-1-yl)propyl]-6-fluoro-1H-benzimidazole
CID 82336282
2-[1-(azepan-1-yl)propyl]-6-chloro-1H-benzimidazole
CID 82336262
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311249
1-(1H-benzimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62673724
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine?
The IUPAC name of 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine (CID 82336424) is 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine.
What is the SMILES notation for 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine?
The canonical SMILES for 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine is CCC(c1nc2ccccc2[nH]1)N1CCOCC1.
What is the InChIKey of 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine?
The InChIKey is PYDTUYFHTYFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-13(17-7-9-18-10-8-17)14-15-11-5-3-4-6-12(11)16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16).
What are the key properties of 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine?
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine has a molecular weight of 245.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-benzimidazol-2-yl)propyl]morpholine is sourced from PubChem (CID 82336424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).