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

C22H22ClN7O3 — CID 160899026

IUPACcyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
SMILESCn1nnnc1-n1c(OCc2cccc(CC(=O)OC3CCCC3)n2)nc2c(Cl)cccc21
InChIInChI=1S/C22H22ClN7O3/c1-29-21(26-27-28-29)30-18-11-5-10-17(23)20(18)25-22(30)32-13-15-7-4-6-14(24-15)12-19(31)33-16-8-2-3-9-16/h4-7,10-11,16H,2-3,8-9,12-13H2,1H3
InChIKeyPZECWJPNQKXPLB-UHFFFAOYSA-N
MW467.92 g/mol
LogP3.20
Rot. Bonds7

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

cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate (PubChem CID 160899026) has the molecular formula C22H22ClN7O3 and a molecular weight of 467.92 g/mol. Its IUPAC name is cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
PubChem CID160899026
Molecular FormulaC22H22ClN7O3
Molecular Weight467.92 g/mol
Exact Mass467.15
IUPAC Namecyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate
SMILESCn1nnnc1-n1c(OCc2cccc(CC(=O)OC3CCCC3)n2)nc2c(Cl)cccc21
InChIInChI=1S/C22H22ClN7O3/c1-29-21(26-27-28-29)30-18-11-5-10-17(23)20(18)25-22(30)32-13-15-7-4-6-14(24-15)12-19(31)33-16-8-2-3-9-16/h4-7,10-11,16H,2-3,8-9,12-13H2,1H3
InChIKeyPZECWJPNQKXPLB-UHFFFAOYSA-N
XLogP3.20
TPSA109.84 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.92
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate?
The IUPAC name of cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate (CID 160899026) is cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate.
What is the SMILES notation for cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate?
The canonical SMILES for cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate is Cn1nnnc1-n1c(OCc2cccc(CC(=O)OC3CCCC3)n2)nc2c(Cl)cccc21.
What is the InChIKey of cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate?
The InChIKey is PZECWJPNQKXPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O3/c1-29-21(26-27-28-29)30-18-11-5-10-17(23)20(18)25-22(30)32-13-15-7-4-6-14(24-15)12-19(31)33-16-8-2-3-9-16/h4-7,10-11,16H,2-3,8-9,12-13H2,1H3.
What are the key properties of cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate?
cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate has a molecular weight of 467.92 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]oxymethyl]-2-pyridinyl]acetate is sourced from PubChem (CID 160899026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).