2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide

C17H17N5O — CID 145486419

IUPAC2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N5O/c1-12-5-4-6-13(9-12)10-19-22-16(23)11-18-17-20-14-7-2-3-8-15(14)21-17/h2-10H,11H2,1H3,(H,22,23)(H2,18,20,21)/b19-10+
InChIKeyXAEKWYAHJRAPQQ-VXLYETTFSA-N
MW307.36 g/mol
LogP2.43
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide

2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide (PubChem CID 145486419) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
PubChem CID145486419
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
SMILESCc1cccc(/C=N/NC(=O)CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C17H17N5O/c1-12-5-4-6-13(9-12)10-19-22-16(23)11-18-17-20-14-7-2-3-8-15(14)21-17/h2-10H,11H2,1H3,(H,22,23)(H2,18,20,21)/b19-10+
InChIKeyXAEKWYAHJRAPQQ-VXLYETTFSA-N
XLogP2.43
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
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

(E)-N-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)prop-2-enamide
CID 31494043
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5399990
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 18227477
2-(1-methylbenzimidazol-2-yl)sulfanyl-N-[(3-methylphenyl)methylideneamino]acetamide
CID 744970
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 591089
2-(1H-benzimidazol-2-ylamino)-N-[(E)-4-methylpentan-2-ylideneamino]acetamide
CID 135270539
N-(1H-benzimidazol-2-yl)-2-(3-methylphenyl)acetamide
CID 62873665
2-(3-methylanilino)-N-[(3-phenoxyphenyl)methylideneamino]acetamide
CID 4537555
[4-[(Z)-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
CID 126030578
N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
CID 176543341
N-(benzylideneamino)-2-(2,4-dimethylanilino)acetamide
CID 967979
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide (CID 145486419) is 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide is Cc1cccc(/C=N/NC(=O)CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
The InChIKey is XAEKWYAHJRAPQQ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-5-4-6-13(9-12)10-19-22-16(23)11-18-17-20-14-7-2-3-8-15(14)21-17/h2-10H,11H2,1H3,(H,22,23)(H2,18,20,21)/b19-10+.
What are the key properties of 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide?
2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 145486419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).