2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile

C15H19N5O — CID 104714905

IUPAC2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile
SMILESCC(CN1CCOCC1)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H19N5O/c1-11(10-19-4-6-21-7-5-19)20-14-8-12(9-16)2-3-13(14)18-15(20)17/h2-3,8,11H,4-7,10H2,1H3,(H2,17,18)
InChIKeyKEEJDDCCFKBAHV-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile

2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile (PubChem CID 104714905) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile
PubChem CID104714905
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile
SMILESCC(CN1CCOCC1)n1c(N)nc2ccc(C#N)cc21
InChIInChI=1S/C15H19N5O/c1-11(10-19-4-6-21-7-5-19)20-14-8-12(9-16)2-3-13(14)18-15(20)17/h2-3,8,11H,4-7,10H2,1H3,(H2,17,18)
InChIKeyKEEJDDCCFKBAHV-UHFFFAOYSA-N
XLogP1.38
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-hexan-2-ylbenzimidazole-5-carbonitrile
CID 104714994
2-amino-3-(2-methylpentan-3-yl)benzimidazole-5-carbonitrile
CID 113444535
2-amino-3-[1-(4-fluorophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714906
2-amino-3-hexan-3-ylbenzimidazole-5-carbonitrile
CID 104714989
2-amino-3-[1-(4-bromophenyl)ethyl]benzimidazole-5-carbonitrile
CID 104714913
2-ethyl-1-(1-morpholin-4-ylpropan-2-yl)benzimidazol-5-amine
CID 62507078
2-amino-3-(3-methylbutyl)benzimidazole-5-carbonitrile
CID 104714701
2-amino-3-(2-ethoxypropyl)benzimidazole-5-carbonitrile
CID 113477805
2-amino-3-(5-methylhexyl)benzimidazole-5-carbonitrile
CID 104715156
2-(1-chloroethyl)-3-(oxan-4-yl)benzimidazole-5-carbonitrile
CID 104715476
2-amino-3-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 104715108
2-amino-3-(oxan-3-yl)benzimidazole-5-carbonitrile
CID 104715045

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile (CID 104714905) is 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile is CC(CN1CCOCC1)n1c(N)nc2ccc(C#N)cc21.
What is the InChIKey of 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile?
The InChIKey is KEEJDDCCFKBAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(10-19-4-6-21-7-5-19)20-14-8-12(9-16)2-3-13(14)18-15(20)17/h2-3,8,11H,4-7,10H2,1H3,(H2,17,18).
What are the key properties of 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile?
2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-morpholin-4-ylpropan-2-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 104714905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).