1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one

C15H19N7O — CID 51074836

IUPAC1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc(N)nc(N(C)C)n2)c2ccccc21
InChIInChI=1S/C15H19N7O/c1-4-21-10-7-5-6-8-11(10)22(15(21)23)9-12-17-13(16)19-14(18-12)20(2)3/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyISRLDSAPBUKRHZ-UHFFFAOYSA-N
MW313.37 g/mol
LogP0.70
Rot. Bonds4

About 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one

1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one (PubChem CID 51074836) has the molecular formula C15H19N7O and a molecular weight of 313.37 g/mol. Its IUPAC name is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one
PubChem CID51074836
Molecular FormulaC15H19N7O
Molecular Weight313.37 g/mol
Exact Mass313.17
IUPAC Name1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc(N)nc(N(C)C)n2)c2ccccc21
InChIInChI=1S/C15H19N7O/c1-4-21-10-7-5-6-8-11(10)22(15(21)23)9-12-17-13(16)19-14(18-12)20(2)3/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19)
InChIKeyISRLDSAPBUKRHZ-UHFFFAOYSA-N
XLogP0.70
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]-3-propylbenzimidazol-2-one
CID 126788482
1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
CID 103866266
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-4-thiophen-2-ylphthalazin-1-one
CID 167769981
6-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 34700430
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
CID 115576185
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
CID 46484186
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-(2-aminobutyl)-3-ethylbenzimidazol-2-one
CID 82168070
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
CID 116621225

Frequently Asked Questions

What is the IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one?
The IUPAC name of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one (CID 51074836) is 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one.
What is the SMILES notation for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one?
The canonical SMILES for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one is CCn1c(=O)n(Cc2nc(N)nc(N(C)C)n2)c2ccccc21.
What is the InChIKey of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one?
The InChIKey is ISRLDSAPBUKRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O/c1-4-21-10-7-5-6-8-11(10)22(15(21)23)9-12-17-13(16)19-14(18-12)20(2)3/h5-8H,4,9H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one?
1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one has a molecular weight of 313.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-ethylbenzimidazol-2-one is sourced from PubChem (CID 51074836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).