2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile

C16H20N4O — CID 82311249

IUPAC2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2ccccc2n1CC#N)N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-2-14(19-9-11-21-12-10-19)16-18-13-5-3-4-6-15(13)20(16)8-7-17/h3-6,14H,2,8-12H2,1H3
InChIKeyOLJLITPPFLYSMF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile

2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile (PubChem CID 82311249) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
PubChem CID82311249
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2ccccc2n1CC#N)N1CCOCC1
InChIInChI=1S/C16H20N4O/c1-2-14(19-9-11-21-12-10-19)16-18-13-5-3-4-6-15(13)20(16)8-7-17/h3-6,14H,2,8-12H2,1H3
InChIKeyOLJLITPPFLYSMF-UHFFFAOYSA-N
XLogP2.34
TPSA54.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311252
2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311237
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
CID 82310698
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
4-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885134
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
3-[2-(1-morpholin-4-ylethyl)benzimidazol-1-yl]propan-1-amine
CID 82310821
4-[(1S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571422
2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
CID 82311258
4-[(1S)-1-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 96571426
4-[1-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]morpholine
CID 18885131
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile (CID 82311249) is 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile is CCC(c1nc2ccccc2n1CC#N)N1CCOCC1.
What is the InChIKey of 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile?
The InChIKey is OLJLITPPFLYSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-14(19-9-11-21-12-10-19)16-18-13-5-3-4-6-15(13)20(16)8-7-17/h3-6,14H,2,8-12H2,1H3.
What are the key properties of 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile?
2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile has a molecular weight of 284.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).