3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide

C21H18FN5O2 — CID 4795823

IUPAC3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
SMILESO=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2/c22-15-6-8-16(9-7-15)27-13-23-12-19(27)21(29)26-25-20(28)10-5-14-11-24-18-4-2-1-3-17(14)18/h1-4,6-9,11-13,24H,5,10H2,(H,25,28)(H,26,29)
InChIKeyUGQBIFLRLNYHLZ-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.89
Rot. Bonds5

About 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide

3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide (PubChem CID 4795823) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
PubChem CID4795823
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC Name3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide
SMILESO=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C21H18FN5O2/c22-15-6-8-16(9-7-15)27-13-23-12-19(27)21(29)26-25-20(28)10-5-14-11-24-18-4-2-1-3-17(14)18/h1-4,6-9,11-13,24H,5,10H2,(H,25,28)(H,26,29)
InChIKeyUGQBIFLRLNYHLZ-UHFFFAOYSA-N
XLogP2.89
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(1H-indol-3-yl)propanamide
CID 55579208
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
1-(4-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-methyltriazole-4-carboxamide
CID 4874239
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide?
The IUPAC name of 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide (CID 4795823) is 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide.
What is the SMILES notation for 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide?
The canonical SMILES for 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide is O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide?
The InChIKey is UGQBIFLRLNYHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c22-15-6-8-16(9-7-15)27-13-23-12-19(27)21(29)26-25-20(28)10-5-14-11-24-18-4-2-1-3-17(14)18/h1-4,6-9,11-13,24H,5,10H2,(H,25,28)(H,26,29).
What are the key properties of 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide?
3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide has a molecular weight of 391.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N'-[3-(1H-indol-3-yl)propanoyl]imidazole-4-carbohydrazide is sourced from PubChem (CID 4795823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).