1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea

C20H20N4O2 — CID 146103401

IUPAC1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
SMILESCc1nc2ccccn2c1CNC(=O)N(C)Cc1cc2ccccc2o1
InChIInChI=1S/C20H20N4O2/c1-14-17(24-10-6-5-9-19(24)22-14)12-21-20(25)23(2)13-16-11-15-7-3-4-8-18(15)26-16/h3-11H,12-13H2,1-2H3,(H,21,25)
InChIKeyHJWFXVVGOTTZBF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.73
Rot. Bonds4

About 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea

1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea (PubChem CID 146103401) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
PubChem CID146103401
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
SMILESCc1nc2ccccn2c1CNC(=O)N(C)Cc1cc2ccccc2o1
InChIInChI=1S/C20H20N4O2/c1-14-17(24-10-6-5-9-19(24)22-14)12-21-20(25)23(2)13-16-11-15-7-3-4-8-18(15)26-16/h3-11H,12-13H2,1-2H3,(H,21,25)
InChIKeyHJWFXVVGOTTZBF-UHFFFAOYSA-N
XLogP3.73
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea with MolForge

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Related Compounds

1-(1-benzofuran-2-ylmethyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylurea
CID 71982725
(2-methylimidazo[1,2-a]pyridin-3-yl)methylurea
CID 139728346
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
1-(1-benzofuran-2-ylmethyl)-3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylurea
CID 71982720
3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 146084461
1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 71865739
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
5,6-dimethyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 136568001
1-(1-benzofuran-2-ylmethyl)-1,2-dimethyl-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111694815
1-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea
CID 154770903
1-(1-benzofuran-2-ylmethyl)-3-ethyl-1-methyl-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]guanidine;hydroiodide
CID 111694807
1-(1-benzofuran-2-ylmethyl)-3-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1-methylurea
CID 71865742

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea (CID 146103401) is 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea is Cc1nc2ccccn2c1CNC(=O)N(C)Cc1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
The InChIKey is HJWFXVVGOTTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14-17(24-10-6-5-9-19(24)22-14)12-21-20(25)23(2)13-16-11-15-7-3-4-8-18(15)26-16/h3-11H,12-13H2,1-2H3,(H,21,25).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea?
1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea has a molecular weight of 348.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-1-methyl-3-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]urea is sourced from PubChem (CID 146103401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).