3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one

C15H21N3O — CID 116610861

IUPAC3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one
SMILESCCC(C)(CN)C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-4-15(2,10-16)13(19)9-14-17-11-7-5-6-8-12(11)18(14)3/h5-8H,4,9-10,16H2,1-3H3
InChIKeyHJWBYIAAUPTZJM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds5

About 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one

3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one (PubChem CID 116610861) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one
PubChem CID116610861
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one
SMILESCCC(C)(CN)C(=O)Cc1nc2ccccc2n1C
InChIInChI=1S/C15H21N3O/c1-4-15(2,10-16)13(19)9-14-17-11-7-5-6-8-12(11)18(14)3/h5-8H,4,9-10,16H2,1-3H3
InChIKeyHJWBYIAAUPTZJM-UHFFFAOYSA-N
XLogP2.06
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,5-trimethyl-1-(1-methylbenzimidazol-2-yl)hexan-2-one
CID 115782482
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
1-ethoxy-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 79754349
1-(1-ethylbenzimidazol-2-yl)-3,3-dimethylbutan-2-one
CID 79753443
3-amino-3-ethyl-1-(1-ethylbenzimidazol-2-yl)pentan-2-one
CID 116592819
1-(1-methylbenzimidazol-2-yl)-3-(2-methylphenyl)propan-2-one
CID 79755659
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
2-(1-methylbenzimidazol-2-yl)-1-(2-methylcyclopropyl)ethanone
CID 79754172
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-(3-aminophenyl)-2-(1-methylbenzimidazol-2-yl)ethanone
CID 116548567
1-(1-methylbenzimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588576

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one?
The IUPAC name of 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one (CID 116610861) is 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one.
What is the SMILES notation for 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one?
The canonical SMILES for 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one is CCC(C)(CN)C(=O)Cc1nc2ccccc2n1C.
What is the InChIKey of 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one?
The InChIKey is HJWBYIAAUPTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-15(2,10-16)13(19)9-14-17-11-7-5-6-8-12(11)18(14)3/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one?
3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-one is sourced from PubChem (CID 116610861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).