2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one

C17H25N5O — CID 67908491

IUPAC2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
SMILESCCN(C)CCC1CN(C)C(=O)n2c(nc3ccccc32)N1C
InChIInChI=1S/C17H25N5O/c1-5-19(2)11-10-13-12-20(3)17(23)22-15-9-7-6-8-14(15)18-16(22)21(13)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyJMKNVGWREMLLJO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.10
Rot. Bonds4

About 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one

2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one (PubChem CID 67908491) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
PubChem CID67908491
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
SMILESCCN(C)CCC1CN(C)C(=O)n2c(nc3ccccc32)N1C
InChIInChI=1S/C17H25N5O/c1-5-19(2)11-10-13-12-20(3)17(23)22-15-9-7-6-8-14(15)18-16(22)21(13)4/h6-9,13H,5,10-12H2,1-4H3
InChIKeyJMKNVGWREMLLJO-UHFFFAOYSA-N
XLogP2.10
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)ethyl]-2-ethyl-3,4-dihydropyrimido[1,6-a]benzimidazol-1-one
CID 19989867
1,2,3-trimethyl-2,3-dihydropyrimido[1,2-a]benzimidazol-4-one
CID 59340966
2-(2-morpholin-4-ylethyl)-1,4-diphenyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one
CID 67909061
2-[3-(difluoromethyl)azetidin-1-yl]-1-methylbenzimidazole
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CID 46889258
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
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CID 62374390
2-[5-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-methylbenzimidazole
CID 154581565
1-methyl-3-(2-propylbenzimidazol-1-yl)pyrrolidin-2-one
CID 116626986
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one (CID 67908491) is 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one is CCN(C)CCC1CN(C)C(=O)n2c(nc3ccccc32)N1C.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
The InChIKey is JMKNVGWREMLLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-5-19(2)11-10-13-12-20(3)17(23)22-15-9-7-6-8-14(15)18-16(22)21(13)4/h6-9,13H,5,10-12H2,1-4H3.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one?
2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one has a molecular weight of 315.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl]-1,4-dimethyl-2,3-dihydro-[1,3,5]triazepino[3,2-a]benzimidazol-5-one is sourced from PubChem (CID 67908491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).