2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide

C18H18N4O — CID 18227477

IUPAC2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C18H18N4O/c1-13-6-5-7-14(10-13)12-19-21-18(23)11-17-20-15-8-3-4-9-16(15)22(17)2/h3-10,12H,11H2,1-2H3,(H,21,23)/b19-12+
InChIKeyUYGIIRWVSNTRJC-XDHOZWIPSA-N
MW306.37 g/mol
LogP2.57
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide

2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide (PubChem CID 18227477) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
PubChem CID18227477
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)Cc2nc3ccccc3n2C)c1
InChIInChI=1S/C18H18N4O/c1-13-6-5-7-14(10-13)12-19-21-18(23)11-17-20-15-8-3-4-9-16(15)22(17)2/h3-10,12H,11H2,1-2H3,(H,21,23)/b19-12+
InChIKeyUYGIIRWVSNTRJC-XDHOZWIPSA-N
XLogP2.57
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(3-methylphenyl)methylideneamino]acetamide
CID 744970
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 29171729
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 7043820
4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442
N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804372
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 42992725
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18228796
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 5450385
N-[(E)-(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 135562544

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide (CID 18227477) is 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(/C=N/NC(=O)Cc2nc3ccccc3n2C)c1.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is UYGIIRWVSNTRJC-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-6-5-7-14(10-13)12-19-21-18(23)11-17-20-15-8-3-4-9-16(15)22(17)2/h3-10,12H,11H2,1-2H3,(H,21,23)/b19-12+.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 18227477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).