6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine

C18H17F3N8O — CID 138570429

IUPAC6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCn1nnnc1-n1c(OCc2cccc(NCCC(F)(F)F)n2)nc2ccccc21
InChIInChI=1S/C18H17F3N8O/c1-28-16(25-26-27-28)29-14-7-3-2-6-13(14)24-17(29)30-11-12-5-4-8-15(23-12)22-10-9-18(19,20)21/h2-8H,9-11H2,1H3,(H,22,23)
InChIKeyUQQIUHLTVZALQK-UHFFFAOYSA-N
MW418.38 g/mol
LogP2.89
Rot. Bonds7

About 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine

6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine (PubChem CID 138570429) has the molecular formula C18H17F3N8O and a molecular weight of 418.38 g/mol. Its IUPAC name is 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine
PubChem CID138570429
Molecular FormulaC18H17F3N8O
Molecular Weight418.38 g/mol
Exact Mass418.15
IUPAC Name6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine
SMILESCn1nnnc1-n1c(OCc2cccc(NCCC(F)(F)F)n2)nc2ccccc21
InChIInChI=1S/C18H17F3N8O/c1-28-16(25-26-27-28)29-14-7-3-2-6-13(14)24-17(29)30-11-12-5-4-8-15(23-12)22-10-9-18(19,20)21/h2-8H,9-11H2,1H3,(H,22,23)
InChIKeyUQQIUHLTVZALQK-UHFFFAOYSA-N
XLogP2.89
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The IUPAC name of 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine (CID 138570429) is 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine.
What is the SMILES notation for 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The canonical SMILES for 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine is Cn1nnnc1-n1c(OCc2cccc(NCCC(F)(F)F)n2)nc2ccccc21.
What is the InChIKey of 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
The InChIKey is UQQIUHLTVZALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N8O/c1-28-16(25-26-27-28)29-14-7-3-2-6-13(14)24-17(29)30-11-12-5-4-8-15(23-12)22-10-9-18(19,20)21/h2-8H,9-11H2,1H3,(H,22,23).
What are the key properties of 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine?
6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine has a molecular weight of 418.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-N-(3,3,3-trifluoropropyl)pyridin-2-amine is sourced from PubChem (CID 138570429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).