2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile

C14H11N5O — CID 165416402

IUPAC2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile
SMILESCn1c(N)nc2cc(Oc3cccnc3)cc(C#N)c21
InChIInChI=1S/C14H11N5O/c1-19-13-9(7-15)5-11(6-12(13)18-14(19)16)20-10-3-2-4-17-8-10/h2-6,8H,1H3,(H2,16,18)
InChIKeyICYYQWWVHTVPDE-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile

2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile (PubChem CID 165416402) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile.

Molecular Properties

Compound Name2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile
PubChem CID165416402
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile
SMILESCn1c(N)nc2cc(Oc3cccnc3)cc(C#N)c21
InChIInChI=1S/C14H11N5O/c1-19-13-9(7-15)5-11(6-12(13)18-14(19)16)20-10-3-2-4-17-8-10/h2-6,8H,1H3,(H2,16,18)
InChIKeyICYYQWWVHTVPDE-UHFFFAOYSA-N
XLogP2.21
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile?
The IUPAC name of 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile (CID 165416402) is 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile.
What is the SMILES notation for 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile?
The canonical SMILES for 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile is Cn1c(N)nc2cc(Oc3cccnc3)cc(C#N)c21.
What is the InChIKey of 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile?
The InChIKey is ICYYQWWVHTVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c1-19-13-9(7-15)5-11(6-12(13)18-14(19)16)20-10-3-2-4-17-8-10/h2-6,8H,1H3,(H2,16,18).
What are the key properties of 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile?
2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-pyridin-3-yloxybenzimidazole-4-carbonitrile is sourced from PubChem (CID 165416402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).