propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate

C19H19ClN8O3 — CID 138576902

IUPACpropyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
SMILESCCCOC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1
InChIInChI=1S/C19H19ClN8O3/c1-3-10-30-19(29)22-15-9-4-6-12(21-15)11-31-18-23-16-13(20)7-5-8-14(16)28(18)17-24-25-26-27(17)2/h4-9H,3,10-11H2,1-2H3,(H,21,22,29)
InChIKeyFUGYOXPXUHJBTJ-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.13
Rot. Bonds7

About propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate

propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate (PubChem CID 138576902) has the molecular formula C19H19ClN8O3 and a molecular weight of 442.87 g/mol. Its IUPAC name is propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namepropyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
PubChem CID138576902
Molecular FormulaC19H19ClN8O3
Molecular Weight442.87 g/mol
Exact Mass442.13
IUPAC Namepropyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate
SMILESCCCOC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1
InChIInChI=1S/C19H19ClN8O3/c1-3-10-30-19(29)22-15-9-4-6-12(21-15)11-31-18-23-16-13(20)7-5-8-14(16)28(18)17-24-25-26-27(17)2/h4-9H,3,10-11H2,1-2H3,(H,21,22,29)
InChIKeyFUGYOXPXUHJBTJ-UHFFFAOYSA-N
XLogP3.13
TPSA121.87 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
The IUPAC name of propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate (CID 138576902) is propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
The canonical SMILES for propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate is CCCOC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1.
What is the InChIKey of propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
The InChIKey is FUGYOXPXUHJBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8O3/c1-3-10-30-19(29)22-15-9-4-6-12(21-15)11-31-18-23-16-13(20)7-5-8-14(16)28(18)17-24-25-26-27(17)2/h4-9H,3,10-11H2,1-2H3,(H,21,22,29).
What are the key properties of propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate?
propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate has a molecular weight of 442.87 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 138576902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).