2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide

C17H17N3O2 — CID 47084188

IUPAC2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC(C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17N3O2/c1-11(19-17(21)14-8-9-22-12(14)2)16-18-10-15(20-16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHICUUTQYJMQOCN-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.47
Rot. Bonds4

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

2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide (PubChem CID 47084188) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
PubChem CID47084188
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC(C)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C17H17N3O2/c1-11(19-17(21)14-8-9-22-12(14)2)16-18-10-15(20-16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20)(H,19,21)
InChIKeyHICUUTQYJMQOCN-UHFFFAOYSA-N
XLogP3.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
1-(5-methyl-1,2-oxazol-3-yl)-3-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]urea
CID 94779070
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 95979997
3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084197
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
2-[(2-methylfuran-3-carbonyl)amino]propanoic acid
CID 16774723
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747
(1S)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806749

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide (CID 47084188) is 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide is Cc1occc1C(=O)NC(C)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The InChIKey is HICUUTQYJMQOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11(19-17(21)14-8-9-22-12(14)2)16-18-10-15(20-16)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 47084188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).