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

C19H20N4O3 — CID 16964057

IUPACpropan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-13(2)26-18(24)12-23-16-8-4-3-7-15(16)22-17(23)11-21-19(25)14-6-5-9-20-10-14/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyQHXFLQDEFRSECJ-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.31
Rot. Bonds6

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

propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate (PubChem CID 16964057) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
PubChem CID16964057
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Namepropan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate
SMILESCC(C)OC(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21
InChIInChI=1S/C19H20N4O3/c1-13(2)26-18(24)12-23-16-8-4-3-7-15(16)22-17(23)11-21-19(25)14-6-5-9-20-10-14/h3-10,13H,11-12H2,1-2H3,(H,21,25)
InChIKeyQHXFLQDEFRSECJ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 2-[2-[[(4-chlorobenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17009130
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964061
N-[(1-butylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963912
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
ethyl 2-[2-[2-(pyridine-3-carbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16964380
N-[[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963959
propan-2-yl 2-[2-(hydroxymethyl)benzimidazol-1-yl]acetate
CID 16995330
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963981
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964062

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate (CID 16964057) is propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate is CC(C)OC(=O)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21.
What is the InChIKey of propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate?
The InChIKey is QHXFLQDEFRSECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(2)26-18(24)12-23-16-8-4-3-7-15(16)22-17(23)11-21-19(25)14-6-5-9-20-10-14/h3-10,13H,11-12H2,1-2H3,(H,21,25).
What are the key properties of propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate has a molecular weight of 352.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[(pyridine-3-carbonylamino)methyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16964057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).