N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide

C16H15N3O2 — CID 18112924

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12(18-16(20)15-3-2-10-21-15)13-4-6-14(7-5-13)19-9-8-17-11-19/h2-12H,1H3,(H,18,20)
InChIKeyAWTFRIXLRLVLNK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.96
Rot. Bonds4

About N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide (PubChem CID 18112924) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
PubChem CID18112924
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H15N3O2/c1-12(18-16(20)15-3-2-10-21-15)13-4-6-14(7-5-13)19-9-8-17-11-19/h2-12H,1H3,(H,18,20)
InChIKeyAWTFRIXLRLVLNK-UHFFFAOYSA-N
XLogP2.96
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide (CID 18112924) is N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
The InChIKey is AWTFRIXLRLVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12(18-16(20)15-3-2-10-21-15)13-4-6-14(7-5-13)19-9-8-17-11-19/h2-12H,1H3,(H,18,20).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 18112924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).