N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide

C20H21N3O3 — CID 42819878

IUPACN-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(Cc1nccn1Cc1cccc(OC)c1)C(=O)c1ccco1
InChIInChI=1S/C20H21N3O3/c1-3-10-23(20(24)18-8-5-12-26-18)15-19-21-9-11-22(19)14-16-6-4-7-17(13-16)25-2/h3-9,11-13H,1,10,14-15H2,2H3
InChIKeyQWRPUMFMDAPJIN-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.36
Rot. Bonds8

About N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide

N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide (PubChem CID 42819878) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
PubChem CID42819878
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide
SMILESC=CCN(Cc1nccn1Cc1cccc(OC)c1)C(=O)c1ccco1
InChIInChI=1S/C20H21N3O3/c1-3-10-23(20(24)18-8-5-12-26-18)15-19-21-9-11-22(19)14-16-6-4-7-17(13-16)25-2/h3-9,11-13H,1,10,14-15H2,2H3
InChIKeyQWRPUMFMDAPJIN-UHFFFAOYSA-N
XLogP3.36
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42819277
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
CID 4554266
2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 4556688
4-bromo-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 3566076
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 24712897
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenoxy-N-prop-2-enylacetamide
CID 4317617
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylcyclopropanecarboxamide
CID 42819519
N-prop-2-enyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
CID 42763489
1-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylurea
CID 42819953
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-methoxy-N-prop-2-enylbenzamide
CID 3641435
N-ethyl-3-methoxy-N-[[1-[(2,4,6-trimethylphenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819547
N-[(1-benzylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 42818587

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide?
The IUPAC name of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide (CID 42819878) is N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide is C=CCN(Cc1nccn1Cc1cccc(OC)c1)C(=O)c1ccco1.
What is the InChIKey of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide?
The InChIKey is QWRPUMFMDAPJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-10-23(20(24)18-8-5-12-26-18)15-19-21-9-11-22(19)14-16-6-4-7-17(13-16)25-2/h3-9,11-13H,1,10,14-15H2,2H3.
What are the key properties of N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide?
N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.36, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylfuran-2-carboxamide is sourced from PubChem (CID 42819878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).