5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide

C19H13F2N5O2 — CID 39983929

IUPAC5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H13F2N5O2/c20-12-1-4-14(5-2-12)26-10-22-9-17(26)19(28)25-24-18(27)16-8-11-7-13(21)3-6-15(11)23-16/h1-10,23H,(H,24,27)(H,25,28)
InChIKeySMPYTPLUGAIHAH-UHFFFAOYSA-N
MW381.34 g/mol
LogP2.71
Rot. Bonds3

About 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide

5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide (PubChem CID 39983929) has the molecular formula C19H13F2N5O2 and a molecular weight of 381.34 g/mol. Its IUPAC name is 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide
PubChem CID39983929
Molecular FormulaC19H13F2N5O2
Molecular Weight381.34 g/mol
Exact Mass381.10
IUPAC Name5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide
SMILESO=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C19H13F2N5O2/c20-12-1-4-14(5-2-12)26-10-22-9-17(26)19(28)25-24-18(27)16-8-11-7-13(21)3-6-15(11)23-16/h1-10,23H,(H,24,27)(H,25,28)
InChIKeySMPYTPLUGAIHAH-UHFFFAOYSA-N
XLogP2.71
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.34
LogP ≤ 52.71
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)imidazole-4-carbohydrazide
CID 5092120
N'-[2-(2,5-difluorophenyl)sulfanylacetyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9158171
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
N'-(4-chloro-2-nitrobenzoyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418559
N'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418577
N'-(2-benzylsulfanylacetyl)-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418556
2-cyclopropyl-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]quinoline-4-carbohydrazide
CID 9158137
3-(4-fluorophenyl)-N'-[4-(methylamino)-3-nitrobenzoyl]imidazole-4-carbohydrazide
CID 9418546
3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N'-[3-(benzenesulfonyl)propanoyl]-3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 9418557

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide?
The IUPAC name of 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide (CID 39983929) is 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide.
What is the SMILES notation for 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide?
The canonical SMILES for 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide is O=C(NNC(=O)c1cncn1-c1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide?
The InChIKey is SMPYTPLUGAIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O2/c20-12-1-4-14(5-2-12)26-10-22-9-17(26)19(28)25-24-18(27)16-8-11-7-13(21)3-6-15(11)23-16/h1-10,23H,(H,24,27)(H,25,28).
What are the key properties of 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide?
5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide has a molecular weight of 381.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-[3-(4-fluorophenyl)imidazole-4-carbonyl]-1H-indole-2-carbohydrazide is sourced from PubChem (CID 39983929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).