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

C17H15ClN8O2 — CID 138576949

IUPACN-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1
InChIInChI=1S/C17H15ClN8O2/c1-10(27)19-14-8-3-5-11(20-14)9-28-17-21-15-12(18)6-4-7-13(15)26(17)16-22-23-24-25(16)2/h3-8H,9H2,1-2H3,(H,19,20,27)
InChIKeyWLUWEAHQFIVTMN-UHFFFAOYSA-N
MW398.81 g/mol
LogP2.13
Rot. Bonds5

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

N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide (PubChem CID 138576949) has the molecular formula C17H15ClN8O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
PubChem CID138576949
Molecular FormulaC17H15ClN8O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC NameN-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1
InChIInChI=1S/C17H15ClN8O2/c1-10(27)19-14-8-3-5-11(20-14)9-28-17-21-15-12(18)6-4-7-13(15)26(17)16-22-23-24-25(16)2/h3-8H,9H2,1-2H3,(H,19,20,27)
InChIKeyWLUWEAHQFIVTMN-UHFFFAOYSA-N
XLogP2.13
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide (CID 138576949) is N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cccc(COc2nc3c(Cl)cccc3n2-c2nnnn2C)n1.
What is the InChIKey of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
The InChIKey is WLUWEAHQFIVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN8O2/c1-10(27)19-14-8-3-5-11(20-14)9-28-17-21-15-12(18)6-4-7-13(15)26(17)16-22-23-24-25(16)2/h3-8H,9H2,1-2H3,(H,19,20,27).
What are the key properties of N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide?
N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide has a molecular weight of 398.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 138576949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).