cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate

C16H21N3O3 — CID 82068240

IUPACcyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate
SMILESCOCc1nc2c(N)cccc2n1CC(=O)OC1CCCC1
InChIInChI=1S/C16H21N3O3/c1-21-10-14-18-16-12(17)7-4-8-13(16)19(14)9-15(20)22-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10,17H2,1H3
InChIKeyZNZHDYIBWLPXNK-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.25
Rot. Bonds5

About cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate

cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate (PubChem CID 82068240) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate
PubChem CID82068240
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namecyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate
SMILESCOCc1nc2c(N)cccc2n1CC(=O)OC1CCCC1
InChIInChI=1S/C16H21N3O3/c1-21-10-14-18-16-12(17)7-4-8-13(16)19(14)9-15(20)22-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10,17H2,1H3
InChIKeyZNZHDYIBWLPXNK-UHFFFAOYSA-N
XLogP2.25
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate?
The IUPAC name of cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate (CID 82068240) is cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate.
What is the SMILES notation for cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate?
The canonical SMILES for cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate is COCc1nc2c(N)cccc2n1CC(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate?
The InChIKey is ZNZHDYIBWLPXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-21-10-14-18-16-12(17)7-4-8-13(16)19(14)9-15(20)22-11-5-2-3-6-11/h4,7-8,11H,2-3,5-6,9-10,17H2,1H3.
What are the key properties of cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate?
cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate has a molecular weight of 303.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[4-amino-2-(methoxymethyl)benzimidazol-1-yl]acetate is sourced from PubChem (CID 82068240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).