ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate

C19H20N4O3 — CID 16964380

IUPACethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-2-26-18(24)13-23-16-8-4-3-7-15(16)22-17(23)9-11-21-19(25)14-6-5-10-20-12-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,21,25)
InChIKeyWRKQUNQLFPXQNT-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.97
Rot. Bonds7

About ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate

ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate (PubChem CID 16964380) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
PubChem CID16964380
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-2-26-18(24)13-23-16-8-4-3-7-15(16)22-17(23)9-11-21-19(25)14-6-5-10-20-12-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,21,25)
InChIKeyWRKQUNQLFPXQNT-UHFFFAOYSA-N
XLogP1.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964363
ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16963894
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964253
N-[2-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964375
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964522
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
CID 16964057
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964332
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate (CID 16964380) is ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The InChIKey is WRKQUNQLFPXQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-2-26-18(24)13-23-16-8-4-3-7-15(16)22-17(23)9-11-21-19(25)14-6-5-10-20-12-14/h3-8,10,12H,2,9,11,13H2,1H3,(H,21,25).
What are the key properties of ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate has a molecular weight of 352.39 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16964380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).