N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide

C21H23FN4O2 — CID 123150889

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide
SMILES[H]/N=C(\c1ccc(OC)cc1)C(CCc1ccc(F)cc1)C(=O)NC1=NCCN1
InChIInChI=1S/C21H23FN4O2/c1-28-17-9-5-15(6-10-17)19(23)18(20(27)26-21-24-12-13-25-21)11-4-14-2-7-16(22)8-3-14/h2-3,5-10,18,23H,4,11-13H2,1H3,(H2,24,25,26,27)/b23-19+
InChIKeyOGXZGRMXRVGYSI-FCDQGJHFSA-N
MW382.44 g/mol
LogP2.53
Rot. Bonds7

About N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide

N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide (PubChem CID 123150889) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide
PubChem CID123150889
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide
SMILES[H]/N=C(\c1ccc(OC)cc1)C(CCc1ccc(F)cc1)C(=O)NC1=NCCN1
InChIInChI=1S/C21H23FN4O2/c1-28-17-9-5-15(6-10-17)19(23)18(20(27)26-21-24-12-13-25-21)11-4-14-2-7-16(22)8-3-14/h2-3,5-10,18,23H,4,11-13H2,1H3,(H2,24,25,26,27)/b23-19+
InChIKeyOGXZGRMXRVGYSI-FCDQGJHFSA-N
XLogP2.53
TPSA86.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide (CID 123150889) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide is [H]/N=C(\c1ccc(OC)cc1)C(CCc1ccc(F)cc1)C(=O)NC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide?
The InChIKey is OGXZGRMXRVGYSI-FCDQGJHFSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-28-17-9-5-15(6-10-17)19(23)18(20(27)26-21-24-12-13-25-21)11-4-14-2-7-16(22)8-3-14/h2-3,5-10,18,23H,4,11-13H2,1H3,(H2,24,25,26,27)/b23-19+.
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide has a molecular weight of 382.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-(4-fluorophenyl)-2-(4-methoxybenzenecarboximidoyl)butanamide is sourced from PubChem (CID 123150889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).