N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C17H19N3O4 — CID 122144144

IUPACN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O4/c1-11-3-5-13(24-11)10-20(7-8-23-2)16(21)12-4-6-14-15(9-12)19-17(22)18-14/h3-6,9H,7-8,10H2,1-2H3,(H2,18,19,22)
InChIKeyLTWFZFOBLXUMDB-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.05
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 122144144) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID122144144
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H19N3O4/c1-11-3-5-13(24-11)10-20(7-8-23-2)16(21)12-4-6-14-15(9-12)19-17(22)18-14/h3-6,9H,7-8,10H2,1-2H3,(H2,18,19,22)
InChIKeyLTWFZFOBLXUMDB-UHFFFAOYSA-N
XLogP2.05
TPSA91.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3478326
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
N-[2-[1,3-benzodioxol-5-ylmethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 4053324
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 3882072
4-bromo-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3982062
3-(2-ethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 42773322
4-fluoro-N-(3-methoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4284944
2-[(2,6-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(4-fluorophenyl)methyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4092311
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)propanamide
CID 42773072
4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 122144144) is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is COCCN(Cc1ccc(C)o1)C(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is LTWFZFOBLXUMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-3-5-13(24-11)10-20(7-8-23-2)16(21)12-4-6-14-15(9-12)19-17(22)18-14/h3-6,9H,7-8,10H2,1-2H3,(H2,18,19,22).
What are the key properties of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 122144144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).