2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C16H15N5O — CID 42992721

IUPAC2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCn1c(CC(=O)N/N=C/c2cccnc2)nc2ccccc21
InChIInChI=1S/C16H15N5O/c1-21-14-7-3-2-6-13(14)19-15(21)9-16(22)20-18-11-12-5-4-8-17-10-12/h2-8,10-11H,9H2,1H3,(H,20,22)/b18-11+
InChIKeyRJBZMKYKFYDNJW-WOJGMQOQSA-N
MW293.33 g/mol
LogP1.66
Rot. Bonds4

About 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 42992721) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID42992721
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCn1c(CC(=O)N/N=C/c2cccnc2)nc2ccccc21
InChIInChI=1S/C16H15N5O/c1-21-14-7-3-2-6-13(14)19-15(21)9-16(22)20-18-11-12-5-4-8-17-10-12/h2-8,10-11H,9H2,1H3,(H,20,22)/b18-11+
InChIKeyRJBZMKYKFYDNJW-WOJGMQOQSA-N
XLogP1.66
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
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

2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 18227477
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 7043820
4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 29171729
4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442
3-(benzotriazol-1-yl)-N-(pyridin-3-ylmethylideneamino)propanamide
CID 742331
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 42992725
2-(1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethylideneamino)acetamide
CID 764281
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 42992721) is 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is Cn1c(CC(=O)N/N=C/c2cccnc2)nc2ccccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is RJBZMKYKFYDNJW-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-14-7-3-2-6-13(14)19-15(21)9-16(22)20-18-11-12-5-4-8-17-10-12/h2-8,10-11H,9H2,1H3,(H,20,22)/b18-11+.
What are the key properties of 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 42992721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).