6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide

C17H19N5O — CID 172983286

IUPAC6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide
SMILESCCc1cc(/C(N)=N/O)cnc1-c1nc2cc(C)ccc2n1C
InChIInChI=1S/C17H19N5O/c1-4-11-8-12(16(18)21-23)9-19-15(11)17-20-13-7-10(2)5-6-14(13)22(17)3/h5-9,23H,4H2,1-3H3,(H2,18,21)
InChIKeyFBCGPLDGJKUGMM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.60
Rot. Bonds3

About 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide

6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 172983286) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID172983286
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide
SMILESCCc1cc(/C(N)=N/O)cnc1-c1nc2cc(C)ccc2n1C
InChIInChI=1S/C17H19N5O/c1-4-11-8-12(16(18)21-23)9-19-15(11)17-20-13-7-10(2)5-6-14(13)22(17)3/h5-9,23H,4H2,1-3H3,(H2,18,21)
InChIKeyFBCGPLDGJKUGMM-UHFFFAOYSA-N
XLogP2.60
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-3-pyridinyl]-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
CID 167575853
N'-hydroxy-2,3-dimethylimidazo[4,5-b]pyridine-6-carboximidamide
CID 83882363
1-[3-(2-ethylphenyl)phenyl]-N'-hydroxybenzimidazole-5-carboximidamide
CID 91432292
2-[2-[4-(N'-hydroxycarbamimidoyl)phenyl]ethyl]-1-methylbenzimidazole-5-carboxylic acid
CID 173248718
1,5-dimethyl-2-(1-methyltriazol-4-yl)benzimidazole
CID 154743164
ethyl 2-(1,5-dimethylbenzimidazol-2-yl)butanoate
CID 79474558
3-(1-ethyl-5-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262209
4-(1,5-dimethylbenzimidazol-2-yl)thiadiazole
CID 47273036
ethyl 1-(1,5-dimethylbenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471719
2-(1,5-dimethylbenzimidazol-2-yl)thiophen-3-amine
CID 60785137
methyl 6-[(Z)-N'-hydroxycarbamimidoyl]-2-[1-methyl-5-(trifluoromethylsulfanyl)benzimidazol-2-yl]pyridine-3-carboxylate
CID 170365323
N'-hydroxy-2-methylpyrimidine-5-carboximidamide
CID 177352508

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide (CID 172983286) is 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide is CCc1cc(/C(N)=N/O)cnc1-c1nc2cc(C)ccc2n1C.
What is the InChIKey of 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is FBCGPLDGJKUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-4-11-8-12(16(18)21-23)9-19-15(11)17-20-13-7-10(2)5-6-14(13)22(17)3/h5-9,23H,4H2,1-3H3,(H2,18,21).
What are the key properties of 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide?
6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 309.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethylbenzimidazol-2-yl)-5-ethyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 172983286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).