2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate

C15H15N3O3 — CID 114531043

IUPAC2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate
SMILESCn1ccnc1CCOC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H15N3O3/c1-18-6-5-17-14(18)4-7-20-15(19)13-9-10-8-11(16)2-3-12(10)21-13/h2-3,5-6,8-9H,4,7,16H2,1H3
InChIKeyGBFOOYOLNHATNJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.15
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate

2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate (PubChem CID 114531043) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate
PubChem CID114531043
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate
SMILESCn1ccnc1CCOC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H15N3O3/c1-18-6-5-17-14(18)4-7-20-15(19)13-9-10-8-11(16)2-3-12(10)21-13/h2-3,5-6,8-9H,4,7,16H2,1H3
InChIKeyGBFOOYOLNHATNJ-UHFFFAOYSA-N
XLogP2.15
TPSA83.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)ethyl 3-amino-5-methylbenzoate
CID 114531090
pyrimidin-2-ylmethyl 5-amino-1-benzofuran-2-carboxylate
CID 62700525
2-(1-methylimidazol-2-yl)ethyl 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 114531057
(1-methylpyrazol-4-yl)methyl 5-amino-1-benzofuran-2-carboxylate
CID 62127700
2-(1-methylimidazol-2-yl)ethyl 2-amino-3-chlorobenzoate
CID 114531084
(2-methoxy-2-oxoethyl) 5-amino-1-benzofuran-2-carboxylate
CID 61323433
2-(1-methylimidazol-2-yl)ethyl 2-(5-amino-2-oxo-1-pyridinyl)acetate
CID 114531068
2-(1-methylimidazol-2-yl)ethyl 5-amino-2-bromo-4-fluorobenzoate
CID 114531067
1-(3-aminophenyl)-5-(1-methylimidazol-2-yl)pentan-3-one
CID 114533349
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533179
1-(3-aminophenyl)-3-(1-methylimidazol-2-yl)propan-2-one
CID 116577218
2-[2-(1-methylimidazol-2-yl)ethylsulfanyl]-1,3-benzoxazol-6-amine
CID 114531096

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate?
The IUPAC name of 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate (CID 114531043) is 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate?
The canonical SMILES for 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate is Cn1ccnc1CCOC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate?
The InChIKey is GBFOOYOLNHATNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18-6-5-17-14(18)4-7-20-15(19)13-9-10-8-11(16)2-3-12(10)21-13/h2-3,5-6,8-9H,4,7,16H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate?
2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)ethyl 5-amino-1-benzofuran-2-carboxylate is sourced from PubChem (CID 114531043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).