2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide

C17H17N5O — CID 9121387

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1c(C)nc2ccccc21)c1ccncc1
InChIInChI=1S/C17H17N5O/c1-12(14-7-9-18-10-8-14)20-21-17(23)11-22-13(2)19-15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,21,23)/b20-12-
InChIKeyJBBKRJSWGHISLQ-NDENLUEZSA-N
MW307.36 g/mol
LogP2.28
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide

2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide (PubChem CID 9121387) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
PubChem CID9121387
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cn1c(C)nc2ccccc21)c1ccncc1
InChIInChI=1S/C17H17N5O/c1-12(14-7-9-18-10-8-14)20-21-17(23)11-22-13(2)19-15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,21,23)/b20-12-
InChIKeyJBBKRJSWGHISLQ-NDENLUEZSA-N
XLogP2.28
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.28
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

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121418
2-(2-methylbenzimidazol-1-yl)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 781499
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121439
N-[1-(4-methylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4040290
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-[1-(4-phenylphenyl)ethylideneamino]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4259074
N-(benzylideneamino)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 4173634
2-(2-methylbenzimidazol-1-yl)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]acetamide
CID 781487
N-(1-naphthalen-2-ylethylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 5223322
3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121440

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide (CID 9121387) is 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is C/C(=N/NC(=O)Cn1c(C)nc2ccccc21)c1ccncc1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
The InChIKey is JBBKRJSWGHISLQ-NDENLUEZSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12(14-7-9-18-10-8-14)20-21-17(23)11-22-13(2)19-15-5-3-4-6-16(15)22/h3-10H,11H2,1-2H3,(H,21,23)/b20-12-.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide?
2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide is sourced from PubChem (CID 9121387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).