N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C16H17N3O3 — CID 56739353

IUPACN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H17N3O3/c1-18-7-6-17-15(18)11-19(8-9-20)16(21)14-10-12-4-2-3-5-13(12)22-14/h2-7,10,20H,8-9,11H2,1H3
InChIKeyJNDUVWUTHIQESG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.80
Rot. Bonds5

About N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 56739353) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID56739353
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H17N3O3/c1-18-7-6-17-15(18)11-19(8-9-20)16(21)14-10-12-4-2-3-5-13(12)22-14/h2-7,10,20H,8-9,11H2,1H3
InChIKeyJNDUVWUTHIQESG-UHFFFAOYSA-N
XLogP1.80
TPSA71.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(2-methylindol-1-yl)propanamide
CID 46992356
1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 74247387
N-(2-hydroxyethyl)-1-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 77079286
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(piperidin-1-ylmethyl)benzamide
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N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
CID 70707028
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131926635
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74239085
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
1-benzofuran-2-yl-[4-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 25284842
1-(2-hydroxyethyl)-3-[(2R)-2-(N-methylanilino)propyl]-1-[(1-methylimidazol-2-yl)methyl]urea
CID 125436502
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
1-(1-benzofuran-2-yl)-2-(2-methylimidazol-1-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 56739353) is N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cn1ccnc1CN(CCO)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is JNDUVWUTHIQESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18-7-6-17-15(18)11-19(8-9-20)16(21)14-10-12-4-2-3-5-13(12)22-14/h2-7,10,20H,8-9,11H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 56739353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).