7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one

C17H25N3O — CID 116574212

IUPAC7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one
SMILESCC(N)CCCC(C)C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-12(7-6-8-13(2)18)16(21)11-17-19-14-9-4-5-10-15(14)20(17)3/h4-5,9-10,12-13H,6-8,11,18H2,1-3H3
InChIKeyIJSLGPNZVPYUMX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.84
Rot. Bonds7

About 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one

7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one (PubChem CID 116574212) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one.

Molecular Properties

Compound Name7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one
PubChem CID116574212
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one
SMILESCC(N)CCCC(C)C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H25N3O/c1-12(7-6-8-13(2)18)16(21)11-17-19-14-9-4-5-10-15(14)20(17)3/h4-5,9-10,12-13H,6-8,11,18H2,1-3H3
InChIKeyIJSLGPNZVPYUMX-UHFFFAOYSA-N
XLogP2.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 79751231
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
CID 81009059
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
methyl (2S)-2-[(1-methylbenzimidazol-2-yl)methylamino]propanoate
CID 55242093

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one?
The IUPAC name of 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one (CID 116574212) is 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one.
What is the SMILES notation for 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one?
The canonical SMILES for 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one is CC(N)CCCC(C)C(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one?
The InChIKey is IJSLGPNZVPYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(7-6-8-13(2)18)16(21)11-17-19-14-9-4-5-10-15(14)20(17)3/h4-5,9-10,12-13H,6-8,11,18H2,1-3H3.
What are the key properties of 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one?
7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-methyl-1-(1-methylbenzimidazol-2-yl)octan-2-one is sourced from PubChem (CID 116574212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).