N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide

C19H18N4O2 — CID 97009757

IUPACN-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESCn1c(CC(=O)N/N=C2\CCc3c(O)cccc32)nc2ccccc21
InChIInChI=1S/C19H18N4O2/c1-23-16-7-3-2-6-15(16)20-18(23)11-19(25)22-21-14-10-9-13-12(14)5-4-8-17(13)24/h2-8,24H,9-11H2,1H3,(H,22,25)/b21-14+
InChIKeyIRDBDDKRHIFAAT-KGENOOAVSA-N
MW334.38 g/mol
LogP2.29
Rot. Bonds3

About N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide

N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide (PubChem CID 97009757) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide
PubChem CID97009757
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESCn1c(CC(=O)N/N=C2\CCc3c(O)cccc32)nc2ccccc21
InChIInChI=1S/C19H18N4O2/c1-23-16-7-3-2-6-15(16)20-18(23)11-19(25)22-21-14-10-9-13-12(14)5-4-8-17(13)24/h2-8,24H,9-11H2,1H3,(H,22,25)/b21-14+
InChIKeyIRDBDDKRHIFAAT-KGENOOAVSA-N
XLogP2.29
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 29171729
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CID 18267442
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 18227477
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804454
4-chloro-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]benzohydrazide
CID 3603733
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 7043820
2-[(1-methylbenzimidazol-2-yl)methyl]phenol
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N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
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2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 55352920
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
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2-(2-methoxyphenyl)-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]acetohydrazide
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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide (CID 97009757) is N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide is Cn1c(CC(=O)N/N=C2\CCc3c(O)cccc32)nc2ccccc21.
What is the InChIKey of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The InChIKey is IRDBDDKRHIFAAT-KGENOOAVSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23-16-7-3-2-6-15(16)20-18(23)11-19(25)22-21-14-10-9-13-12(14)5-4-8-17(13)24/h2-8,24H,9-11H2,1H3,(H,22,25)/b21-14+.
What are the key properties of N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide?
N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide has a molecular weight of 334.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-2,3-dihydroinden-1-ylidene)amino]-2-(1-methylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 97009757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).