1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide

C23H21FN4O4 — CID 26682519

IUPAC1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc21
InChIInChI=1S/C23H21FN4O4/c1-3-28-14(2)25-19-12-15(4-10-20(19)28)22(29)26-27-23(30)21-11-9-18(32-21)13-31-17-7-5-16(24)6-8-17/h4-12H,3,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBEWOGDHFIDPBGQ-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.75
Rot. Bonds6

About 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide

1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide (PubChem CID 26682519) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
PubChem CID26682519
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc21
InChIInChI=1S/C23H21FN4O4/c1-3-28-14(2)25-19-12-15(4-10-20(19)28)22(29)26-27-23(30)21-11-9-18(32-21)13-31-17-7-5-16(24)6-8-17/h4-12H,3,13H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBEWOGDHFIDPBGQ-UHFFFAOYSA-N
XLogP3.75
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbohydrazide
CID 24621720
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
N'-(4-butoxy-3-methoxybenzoyl)-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 46656743
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165621
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
1-ethyl-N'-[5-(phenoxymethyl)furan-2-carbonyl]indole-2-carbohydrazide
CID 55928950

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide (CID 26682519) is 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)c3ccc(COc4ccc(F)cc4)o3)ccc21.
What is the InChIKey of 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
The InChIKey is BEWOGDHFIDPBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c1-3-28-14(2)25-19-12-15(4-10-20(19)28)22(29)26-27-23(30)21-11-9-18(32-21)13-31-17-7-5-16(24)6-8-17/h4-12H,3,13H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide?
1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide has a molecular weight of 436.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N'-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]-2-methylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 26682519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).