1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide

C16H20N4O3 — CID 27165621

IUPAC1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)ccc21
InChIInChI=1S/C16H20N4O3/c1-3-20-10(2)17-12-9-11(6-7-13(12)20)15(21)18-19-16(22)14-5-4-8-23-14/h6-7,9,14H,3-5,8H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyLKLNOCNBWMWZSX-AWEZNQCLSA-N
MW316.36 g/mol
LogP1.30
Rot. Bonds3

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

1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide (PubChem CID 27165621) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
PubChem CID27165621
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
SMILESCCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)ccc21
InChIInChI=1S/C16H20N4O3/c1-3-20-10(2)17-12-9-11(6-7-13(12)20)15(21)18-19-16(22)14-5-4-8-23-14/h6-7,9,14H,3-5,8H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyLKLNOCNBWMWZSX-AWEZNQCLSA-N
XLogP1.30
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-methyl-N'-[(2R)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide
CID 27165622
N,N-diethyl-4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]piperidine-1-carboxamide
CID 46428685
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'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
N'-(2,6-difluorobenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 36704035
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
cyclopropyl-(1-ethyl-2-methylbenzimidazol-5-yl)methanone
CID 82494804
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
(2S)-N'-(4-methylbenzoyl)oxolane-2-carbohydrazide
CID 40870131
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
(2S)-N'-(3,4-diethoxybenzoyl)oxolane-2-carbohydrazide
CID 912755
1-ethyl-2-methyl-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzimidazole-5-carbohydrazide
CID 2102444

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide?
The IUPAC name of 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide (CID 27165621) is 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide.
What is the SMILES notation for 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide?
The canonical SMILES for 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide is CCn1c(C)nc2cc(C(=O)NNC(=O)[C@@H]3CCCO3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide?
The InChIKey is LKLNOCNBWMWZSX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-20-10(2)17-12-9-11(6-7-13(12)20)15(21)18-19-16(22)14-5-4-8-23-14/h6-7,9,14H,3-5,8H2,1-2H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide?
1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide has a molecular weight of 316.36 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N'-[(2S)-oxolane-2-carbonyl]benzimidazole-5-carbohydrazide is sourced from PubChem (CID 27165621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).