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

C19H20N4O3 — CID 16963894

IUPACethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C(C)NC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-3-26-17(24)12-23-16-9-5-4-8-15(16)22-18(23)13(2)21-19(25)14-7-6-10-20-11-14/h4-11,13H,3,12H2,1-2H3,(H,21,25)
InChIKeyLKIHHDVJJCRUBF-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.49
Rot. Bonds6

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

ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate (PubChem CID 16963894) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
PubChem CID16963894
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C(C)NC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-3-26-17(24)12-23-16-9-5-4-8-15(16)22-18(23)13(2)21-19(25)14-7-6-10-20-11-14/h4-11,13H,3,12H2,1-2H3,(H,21,25)
InChIKeyLKIHHDVJJCRUBF-UHFFFAOYSA-N
XLogP2.49
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-[1-(pyridine-4-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16965514
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963769
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16964380
N-[1-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963819
N-[1-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963863
N-[1-[1-[3-(2,6-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963822
N-[1-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963799
N-[1-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963892
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151
N-[1-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963861
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965517

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate (CID 16963894) is ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(C(C)NC(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
The InChIKey is LKIHHDVJJCRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-26-17(24)12-23-16-9-5-4-8-15(16)22-18(23)13(2)21-19(25)14-7-6-10-20-11-14/h4-11,13H,3,12H2,1-2H3,(H,21,25).
What are the key properties of ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[1-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16963894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).