N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide

C19H24N7+ — CID 158512571

IUPACN'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide
SMILESCC(C)C(=NN=c1n(C)c2ccccc2n1C)/N=N/c1cc[n+](C)cc1
InChIInChI=1S/C19H24N7/c1-14(2)18(21-20-15-10-12-24(3)13-11-15)22-23-19-25(4)16-8-6-7-9-17(16)26(19)5/h6-14H,1-5H3/q+1
InChIKeyZIOQNOODZQCGSK-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.00
Rot. Bonds3

About N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide

N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide (PubChem CID 158512571) has the molecular formula C19H24N7+ and a molecular weight of 350.45 g/mol. Its IUPAC name is N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide.

Molecular Properties

Compound NameN'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide
PubChem CID158512571
Molecular FormulaC19H24N7+
Molecular Weight350.45 g/mol
Exact Mass350.21
IUPAC NameN'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide
SMILESCC(C)C(=NN=c1n(C)c2ccccc2n1C)/N=N/c1cc[n+](C)cc1
InChIInChI=1S/C19H24N7/c1-14(2)18(21-20-15-10-12-24(3)13-11-15)22-23-19-25(4)16-8-6-7-9-17(16)26(19)5/h6-14H,1-5H3/q+1
InChIKeyZIOQNOODZQCGSK-UHFFFAOYSA-N
XLogP3.00
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide?
The IUPAC name of N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide (CID 158512571) is N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide.
What is the SMILES notation for N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide?
The canonical SMILES for N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide is CC(C)C(=NN=c1n(C)c2ccccc2n1C)/N=N/c1cc[n+](C)cc1.
What is the InChIKey of N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide?
The InChIKey is ZIOQNOODZQCGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N7/c1-14(2)18(21-20-15-10-12-24(3)13-11-15)22-23-19-25(4)16-8-6-7-9-17(16)26(19)5/h6-14H,1-5H3/q+1.
What are the key properties of N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide?
N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide has a molecular weight of 350.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,3-dimethylbenzimidazol-2-ylidene)amino]-2-methyl-N-(1-methylpyridin-1-ium-4-yl)iminopropanimidamide is sourced from PubChem (CID 158512571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).