1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine

C13H13N5O — CID 131997866

IUPAC1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ncco1
InChIInChI=1S/C13H13N5O/c1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h3-8H,1-2H3,(H,15,17)/b16-9+
InChIKeyXSEXWYUCOSOKMJ-CXUHLZMHSA-N
MW255.28 g/mol
LogP2.40
Rot. Bonds3

About 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine

1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine (PubChem CID 131997866) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine
PubChem CID131997866
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine
SMILESC/C(=N\Nc1nc2ccccc2n1C)c1ncco1
InChIInChI=1S/C13H13N5O/c1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h3-8H,1-2H3,(H,15,17)/b16-9+
InChIKeyXSEXWYUCOSOKMJ-CXUHLZMHSA-N
XLogP2.40
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-1-(1-methylbenzimidazol-2-yl)ethylideneamino]aniline
CID 134100687
N-[4-(4-fluorophenyl)butan-2-ylideneamino]-1-methylbenzimidazol-2-amine
CID 154774858
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
2-[(1-methylbenzimidazol-2-yl)amino]propanoic acid
CID 83836910
5-fluoro-1,6-dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]benzimidazol-2-amine;5-fluoro-1,6-dimethyl-N-[(E)-1-pyrimidin-2-ylethylideneamino]benzimidazol-2-amine;N-[(E)-1-(furan-2-yl)ethylideneamino]-1-methylbenzimidazol-2-amine;1-methyl-N-[(E)-1-(1-methylimidazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]benzimidazol-2-amine;1-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzimidazol-2-amine
CID 172950372
4-[(4-methyl-3-oxoquinoxalin-2-yl)amino]-N-(1,3-oxazol-2-yl)benzamide
CID 11485222
N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
N-(1-methylbenzimidazol-2-yl)formamide
CID 142858770
2-[2-(furan-2-yl)ethenyl]-1-methylbenzimidazole
CID 2871543
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
2,3-dimethyl-3-[(1-methylbenzimidazol-2-yl)amino]butan-2-ol
CID 106185170

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine (CID 131997866) is 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine is C/C(=N\Nc1nc2ccccc2n1C)c1ncco1.
What is the InChIKey of 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine?
The InChIKey is XSEXWYUCOSOKMJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9(12-14-7-8-19-12)16-17-13-15-10-5-3-4-6-11(10)18(13)2/h3-8H,1-2H3,(H,15,17)/b16-9+.
What are the key properties of 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine?
1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine has a molecular weight of 255.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-1-(1,3-oxazol-2-yl)ethylideneamino]benzimidazol-2-amine is sourced from PubChem (CID 131997866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).