2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile

C13H11N5O — CID 106375028

IUPAC2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
SMILESCc1cnc(Cn2c(N)nc3c(C#N)cccc32)o1
InChIInChI=1S/C13H11N5O/c1-8-6-16-11(19-8)7-18-10-4-2-3-9(5-14)12(10)17-13(18)15/h2-4,6H,7H2,1H3,(H2,15,17)
InChIKeyDBAPIJAJWSBQAI-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.83
Rot. Bonds2

About 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile

2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile (PubChem CID 106375028) has the molecular formula C13H11N5O and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
PubChem CID106375028
Molecular FormulaC13H11N5O
Molecular Weight253.26 g/mol
Exact Mass253.10
IUPAC Name2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile
SMILESCc1cnc(Cn2c(N)nc3c(C#N)cccc32)o1
InChIInChI=1S/C13H11N5O/c1-8-6-16-11(19-8)7-18-10-4-2-3-9(5-14)12(10)17-13(18)15/h2-4,6H,7H2,1H3,(H2,15,17)
InChIKeyDBAPIJAJWSBQAI-UHFFFAOYSA-N
XLogP1.83
TPSA93.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile (CID 106375028) is 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile is Cc1cnc(Cn2c(N)nc3c(C#N)cccc32)o1.
What is the InChIKey of 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile?
The InChIKey is DBAPIJAJWSBQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-8-6-16-11(19-8)7-18-10-4-2-3-9(5-14)12(10)17-13(18)15/h2-4,6H,7H2,1H3,(H2,15,17).
What are the key properties of 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile?
2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile has a molecular weight of 253.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazole-4-carbonitrile is sourced from PubChem (CID 106375028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).