1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide

C21H24N4O2 — CID 2090701

IUPAC1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)C[C@H](C)c3ccccc3)ccc21
InChIInChI=1S/C21H24N4O2/c1-4-25-15(3)22-18-13-17(10-11-19(18)25)21(27)24-23-20(26)12-14(2)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyIYDBCOWVOVHATJ-AWEZNQCLSA-N
MW364.45 g/mol
LogP3.32
Rot. Bonds5

About 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide

1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide (PubChem CID 2090701) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
PubChem CID2090701
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)C[C@H](C)c3ccccc3)ccc21
InChIInChI=1S/C21H24N4O2/c1-4-25-15(3)22-18-13-17(10-11-19(18)25)21(27)24-23-20(26)12-14(2)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,23,26)(H,24,27)/t14-/m0/s1
InChIKeyIYDBCOWVOVHATJ-AWEZNQCLSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.32
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-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
1-ethyl-2-methyl-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzimidazole-5-carbohydrazide
CID 24534673
N-[2-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 27166329
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N-[1-[2-(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 42906196
1-ethyl-2-methyl-N'-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)benzimidazole-5-carbohydrazide
CID 51109748
1-ethyl-2-methyl-N'-(1-thiophen-2-ylethenyl)benzimidazole-5-carbohydrazide
CID 2397383

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide (CID 2090701) is 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)C[C@H](C)c3ccccc3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide?
The InChIKey is IYDBCOWVOVHATJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25-15(3)22-18-13-17(10-11-19(18)25)21(27)24-23-20(26)12-14(2)16-8-6-5-7-9-16/h5-11,13-14H,4,12H2,1-3H3,(H,23,26)(H,24,27)/t14-/m0/s1.
What are the key properties of 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide?
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide has a molecular weight of 364.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide is sourced from PubChem (CID 2090701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).