N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

C19H21FN4O2 — CID 21175320

IUPACN'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c20-15-3-5-16(6-4-15)24-11-21-10-17(24)19(26)23-22-18(25)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,22,25)(H,23,26)/t12-,13-,14-/m1/s1
InChIKeyMNPYEKOXSVGOQB-MGPQQGTHSA-N
MW356.40 g/mol
LogP2.60
Rot. Bonds4

About N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide

N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (PubChem CID 21175320) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
PubChem CID21175320
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
SMILESO=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c20-15-3-5-16(6-4-15)24-11-21-10-17(24)19(26)23-22-18(25)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,22,25)(H,23,26)/t12-,13-,14-/m1/s1
InChIKeyMNPYEKOXSVGOQB-MGPQQGTHSA-N
XLogP2.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 11941116
N'-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]pyridine-4-carbohydrazide
CID 98605976
N-(4-fluorophenyl)-2-[2-[2-[3-(4-fluorophenyl)imidazole-4-carbonyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 25437345
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluorophenyl)acetamide
CID 7947448
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
1-[[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-3-[(4-fluorophenyl)methyl]thiourea
CID 11935009
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 18556191
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418557
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
CID 120943165

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide (CID 21175320) is N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NNC(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
The InChIKey is MNPYEKOXSVGOQB-MGPQQGTHSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-3-5-16(6-4-15)24-11-21-10-17(24)19(26)23-22-18(25)9-14-8-12-1-2-13(14)7-12/h3-6,10-14H,1-2,7-9H2,(H,22,25)(H,23,26)/t12-,13-,14-/m1/s1.
What are the key properties of N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide?
N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide has a molecular weight of 356.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 21175320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).