N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide

C11H13N3O2 — CID 114821905

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc[nH]2)co1
InChIInChI=1S/C11H13N3O2/c1-8-6-9(7-16-8)11(15)14-3-2-10-12-4-5-13-10/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyCFEQVTJCDHZUOI-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.28
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide (PubChem CID 114821905) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
PubChem CID114821905
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ncc[nH]2)co1
InChIInChI=1S/C11H13N3O2/c1-8-6-9(7-16-8)11(15)14-3-2-10-12-4-5-13-10/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15)
InChIKeyCFEQVTJCDHZUOI-UHFFFAOYSA-N
XLogP1.28
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
N-[2-(1H-imidazol-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115620280
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
CID 134598612
5-bromo-N-(1H-imidazol-2-ylmethyl)furan-3-carboxamide
CID 131107437
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
5-amino-N-[2-(1H-imidazol-2-yl)ethyl]-2,4-dimethylbenzamide
CID 102705968
N-[2-(1H-imidazol-2-yl)ethyl]-4-methylthiophene-3-carboxamide
CID 115679033
2-ethyl-N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 114103254
2-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 113247173

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide (CID 114821905) is N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCCc2ncc[nH]2)co1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide?
The InChIKey is CFEQVTJCDHZUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8-6-9(7-16-8)11(15)14-3-2-10-12-4-5-13-10/h4-7H,2-3H2,1H3,(H,12,13)(H,14,15).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 114821905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).