N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid

C19H27FN4O5 — CID 154916583

IUPACN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1cccc(F)c1.O=CO.O=CO
InChIInChI=1S/C17H23FN4O.2CH2O2/c1-21(2)8-9-22(12-16-11-19-13-20-16)17(23)7-6-14-4-3-5-15(18)10-14;2*2-1-3/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,20);2*1H,(H,2,3)
InChIKeyGLWVAWKKJRJFIG-UHFFFAOYSA-N
MW410.45 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid

N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid (PubChem CID 154916583) has the molecular formula C19H27FN4O5 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
PubChem CID154916583
Molecular FormulaC19H27FN4O5
Molecular Weight410.45 g/mol
Exact Mass410.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
SMILESCN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1cccc(F)c1.O=CO.O=CO
InChIInChI=1S/C17H23FN4O.2CH2O2/c1-21(2)8-9-22(12-16-11-19-13-20-16)17(23)7-6-14-4-3-5-15(18)10-14;2*2-1-3/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,20);2*1H,(H,2,3)
InChIKeyGLWVAWKKJRJFIG-UHFFFAOYSA-N
XLogP1.47
TPSA126.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)butanamide
CID 135102264
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-2,4,5-trimethylbenzamide;formic acid
CID 154918377
2-(3-chlorophenoxy)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid
CID 154917685
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)acetamide
CID 135106056
3-(3-chlorophenyl)-N-[2-(dimethylamino)ethyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135087620
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
4-tert-butyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)benzamide
CID 135110929
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 135112173
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(dimethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-4-oxobutanamide
CID 60622864
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-3-methoxy-2-methylbenzamide
CID 135099244
N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;formic acid
CID 171321506

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid (CID 154916583) is N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid is CN(C)CCN(Cc1cnc[nH]1)C(=O)CCc1cccc(F)c1.O=CO.O=CO.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid?
The InChIKey is GLWVAWKKJRJFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O.2CH2O2/c1-21(2)8-9-22(12-16-11-19-13-20-16)17(23)7-6-14-4-3-5-15(18)10-14;2*2-1-3/h3-5,10-11,13H,6-9,12H2,1-2H3,(H,19,20);2*1H,(H,2,3).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid?
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid has a molecular weight of 410.45 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-N-(1H-imidazol-5-ylmethyl)propanamide;formic acid is sourced from PubChem (CID 154916583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).