4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine

C25H34N8O2 — CID 143306770

IUPAC4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine
SMILESC=NC.C=NC(=C)n1cnc2ccc(OC)cc21.CC.Cc1[nH]c(=O)n(Cc2cccnc2)c1N
InChIInChI=1S/C11H11N3O.C10H12N4O.C2H5N.C2H6/c1-8(12-2)14-7-13-10-5-4-9(15-3)6-11(10)14;1-7-9(11)14(10(15)13-7)6-8-3-2-4-12-5-8;1-3-2;1-2/h4-7H,1-2H2,3H3;2-5H,6,11H2,1H3,(H,13,15);1H2,2H3;1-2H3
InChIKeyAKYIYDLLGGPWQQ-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.03
Rot. Bonds5

About 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine

4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine (PubChem CID 143306770) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine.

Molecular Properties

Compound Name4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine
PubChem CID143306770
Molecular FormulaC25H34N8O2
Molecular Weight478.60 g/mol
Exact Mass478.28
IUPAC Name4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine
SMILESC=NC.C=NC(=C)n1cnc2ccc(OC)cc21.CC.Cc1[nH]c(=O)n(Cc2cccnc2)c1N
InChIInChI=1S/C11H11N3O.C10H12N4O.C2H5N.C2H6/c1-8(12-2)14-7-13-10-5-4-9(15-3)6-11(10)14;1-7-9(11)14(10(15)13-7)6-8-3-2-4-12-5-8;1-3-2;1-2/h4-7H,1-2H2,3H3;2-5H,6,11H2,1H3,(H,13,15);1H2,2H3;1-2H3
InChIKeyAKYIYDLLGGPWQQ-UHFFFAOYSA-N
XLogP4.03
TPSA128.47 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine with MolForge

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Related Compounds

9-(pyridin-3-ylmethyl)-2-[6-(trifluoromethoxy)benzimidazol-1-yl]-7H-purin-8-one
CID 59726930
7-(2-hydroxy-4-methoxyphenyl)-1-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048788
2-[5-methoxy-2-methyl-1-(pyridin-3-ylmethyl)indol-3-yl]acetic acid
CID 23368789
3-[(3-methoxyphenyl)methyl]benzimidazol-5-amine
CID 18379860
methyl 2-amino-4-(4-methoxyphenyl)-7-methyl-5-oxo-6-(pyridin-3-ylmethyl)-4H-pyrano[3,2-c]pyridine-3-carboxylate
CID 3773252
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-methoxy-N-methylbenzamide
CID 8801016
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 166099459
7-methoxy-1-[[3-(methylsulfonimidoyl)phenyl]methyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 175899098
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
CID 8801143
methyl 4-[(E)-hydroxy-[(2S)-2-(3-methoxyphenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 98386205

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine?
The IUPAC name of 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine (CID 143306770) is 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine.
What is the SMILES notation for 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine?
The canonical SMILES for 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine is C=NC.C=NC(=C)n1cnc2ccc(OC)cc21.CC.Cc1[nH]c(=O)n(Cc2cccnc2)c1N.
What is the InChIKey of 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine?
The InChIKey is AKYIYDLLGGPWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O.C10H12N4O.C2H5N.C2H6/c1-8(12-2)14-7-13-10-5-4-9(15-3)6-11(10)14;1-7-9(11)14(10(15)13-7)6-8-3-2-4-12-5-8;1-3-2;1-2/h4-7H,1-2H2,3H3;2-5H,6,11H2,1H3,(H,13,15);1H2,2H3;1-2H3.
What are the key properties of 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine?
4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine has a molecular weight of 478.60 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-3-(pyridin-3-ylmethyl)-1H-imidazol-2-one;ethane;N-[1-(6-methoxybenzimidazol-1-yl)ethenyl]methanimine;N-methylmethanimine is sourced from PubChem (CID 143306770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).