N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine

C17H18N8O — CID 138570670

IUPACN,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
SMILESCN(C)c1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1
InChIInChI=1S/C17H18N8O/c1-23(2)15-10-6-7-12(18-15)11-26-17-19-13-8-4-5-9-14(13)25(17)16-20-21-22-24(16)3/h4-10H,11H2,1-3H3
InChIKeyXSYZIWHGQIVQNT-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.59
Rot. Bonds5

About N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine

N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine (PubChem CID 138570670) has the molecular formula C17H18N8O and a molecular weight of 350.39 g/mol. Its IUPAC name is N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
PubChem CID138570670
Molecular FormulaC17H18N8O
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC NameN,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine
SMILESCN(C)c1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1
InChIInChI=1S/C17H18N8O/c1-23(2)15-10-6-7-12(18-15)11-26-17-19-13-8-4-5-9-14(13)25(17)16-20-21-22-24(16)3/h4-10H,11H2,1-3H3
InChIKeyXSYZIWHGQIVQNT-UHFFFAOYSA-N
XLogP1.59
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine (CID 138570670) is N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine is CN(C)c1cccc(COc2nc3ccccc3n2-c2nnnn2C)n1.
What is the InChIKey of N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
The InChIKey is XSYZIWHGQIVQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O/c1-23(2)15-10-6-7-12(18-15)11-26-17-19-13-8-4-5-9-14(13)25(17)16-20-21-22-24(16)3/h4-10H,11H2,1-3H3.
What are the key properties of N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine?
N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine has a molecular weight of 350.39 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]pyridin-2-amine is sourced from PubChem (CID 138570670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).