1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

C20H24N4O2 — CID 16765798

IUPAC1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCOCCN1CN(Cc2ccc(OC)cc2)Cn2c1nc1ccccc12
InChIInChI=1S/C20H24N4O2/c1-25-12-11-23-14-22(13-16-7-9-17(26-2)10-8-16)15-24-19-6-4-3-5-18(19)21-20(23)24/h3-10H,11-15H2,1-2H3
InChIKeyAHZNBCYUPMHJMY-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.93
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 16765798) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID16765798
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCOCCN1CN(Cc2ccc(OC)cc2)Cn2c1nc1ccccc12
InChIInChI=1S/C20H24N4O2/c1-25-12-11-23-14-22(13-16-7-9-17(26-2)10-8-16)15-24-19-6-4-3-5-18(19)21-20(23)24/h3-10H,11-15H2,1-2H3
InChIKeyAHZNBCYUPMHJMY-UHFFFAOYSA-N
XLogP2.93
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole with MolForge

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Related Compounds

1-butyl-3-[2-(4-chlorophenoxy)ethyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 8812925
3-[(4-methoxyphenyl)methyl]-1,2,4,5-tetrahydro-[1,4]diazepino[1,7-a]benzimidazole
CID 155901819
(2S)-1-[3-[(3-chlorophenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-1-yl]propan-2-ol
CID 8003394
3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 4969785
2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1-methylbenzimidazole
CID 51137878
1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 666255
1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
CID 71648335
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-N-methylethanamine
CID 15142712
1-[(4-methoxyphenyl)methyl]-4-(1-methylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005532
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 16765798) is 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is COCCN1CN(Cc2ccc(OC)cc2)Cn2c1nc1ccccc12.
What is the InChIKey of 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is AHZNBCYUPMHJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-25-12-11-23-14-22(13-16-7-9-17(26-2)10-8-16)15-24-19-6-4-3-5-18(19)21-20(23)24/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 352.44 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 16765798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).