N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide

C17H17N3O2 — CID 95197180

IUPACN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13-7-10-22-16(13)17(21)19-15(11-20-9-8-18-12-20)14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyLNHALLBCWHIUSZ-HNNXBMFYSA-N
MW295.34 g/mol
LogP2.96
Rot. Bonds5

About N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide (PubChem CID 95197180) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
PubChem CID95197180
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-13-7-10-22-16(13)17(21)19-15(11-20-9-8-18-12-20)14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyLNHALLBCWHIUSZ-HNNXBMFYSA-N
XLogP2.96
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(1S)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-2-carboxamide
CID 124847738
3-methyl-N-(3-methyl-1-phenylbutyl)furan-2-carboxamide
CID 43054971
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-(2-imidazol-1-yl-1-phenylethyl)-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 50982007

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide (CID 95197180) is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide?
The InChIKey is LNHALLBCWHIUSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-7-10-22-16(13)17(21)19-15(11-20-9-8-18-12-20)14-5-3-2-4-6-14/h2-10,12,15H,11H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide?
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 95197180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).