N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide

C19H21N3O3 — CID 111969855

IUPACN-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
SMILESCCc1ncc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)[nH]1
InChIInChI=1S/C19H21N3O3/c1-2-18-20-11-15(21-18)19(24)22(12-14-7-4-3-5-8-14)13-16(23)17-9-6-10-25-17/h3-11,16,23H,2,12-13H2,1H3,(H,20,21)
InChIKeyLRFDWZHRCVAWDL-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.94
Rot. Bonds7

About N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide

N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide (PubChem CID 111969855) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
PubChem CID111969855
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide
SMILESCCc1ncc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)[nH]1
InChIInChI=1S/C19H21N3O3/c1-2-18-20-11-15(21-18)19(24)22(12-14-7-4-3-5-8-14)13-16(23)17-9-6-10-25-17/h3-11,16,23H,2,12-13H2,1H3,(H,20,21)
InChIKeyLRFDWZHRCVAWDL-UHFFFAOYSA-N
XLogP2.94
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrrole-2-carboxamide
CID 97011235
N-benzyl-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-6-methylpyridine-2-carboxamide
CID 97011240
N-benzyl-1-tert-butyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,2,4-triazole-3-carboxamide
CID 139004625
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
N-benzyl-4-cyano-N-[2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 111969862
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 120638257
N-benzyl-2,4-difluoro-N-[2-(furan-2-yl)-2-hydroxyethyl]-5-methylbenzamide
CID 75425042
2-(2-aminoethyl)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638256
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146129495
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 84586214
(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
CID 111970128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide (CID 111969855) is N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide is CCc1ncc(C(=O)N(Cc2ccccc2)CC(O)c2ccco2)[nH]1.
What is the InChIKey of N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide?
The InChIKey is LRFDWZHRCVAWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-2-18-20-11-15(21-18)19(24)22(12-14-7-4-3-5-8-14)13-16(23)17-9-6-10-25-17/h3-11,16,23H,2,12-13H2,1H3,(H,20,21).
What are the key properties of N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide?
N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 111969855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).