(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one

C19H28N4O — CID 92582371

IUPAC(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESC[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1CN(C)C
InChIInChI=1S/C19H28N4O/c1-15(12-22-14-20-17-9-4-5-10-18(17)22)19(24)23-11-7-6-8-16(23)13-21(2)3/h4-5,9-10,14-16H,6-8,11-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyCYQUFWHZCIXFPK-HZPDHXFCSA-N
MW328.46 g/mol
LogP2.62
Rot. Bonds5

About (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one

(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 92582371) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID92582371
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one
SMILESC[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1CN(C)C
InChIInChI=1S/C19H28N4O/c1-15(12-22-14-20-17-9-4-5-10-18(17)22)19(24)23-11-7-6-8-16(23)13-21(2)3/h4-5,9-10,14-16H,6-8,11-13H2,1-3H3/t15-,16-/m1/s1
InChIKeyCYQUFWHZCIXFPK-HZPDHXFCSA-N
XLogP2.62
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzimidazol-1-yl)-2-methylpropanamide
CID 112688309
(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
3-(benzimidazol-1-yl)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 171667449
3-(benzimidazol-1-yl)-1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-methylpropan-1-one
CID 46968504
(2R)-2-(benzimidazol-1-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95602733
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2476351
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
2-[(2S)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158429
2-[(2R)-1-acetylpiperidin-2-yl]-N-[3-(benzimidazol-1-yl)propyl]acetamide
CID 95158428
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220
1-(benzimidazol-1-yl)propan-2-ol
CID 22504258

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one (CID 92582371) is (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one is C[C@H](Cn1cnc2ccccc21)C(=O)N1CCCC[C@@H]1CN(C)C.
What is the InChIKey of (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is CYQUFWHZCIXFPK-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H28N4O/c1-15(12-22-14-20-17-9-4-5-10-18(17)22)19(24)23-11-7-6-8-16(23)13-21(2)3/h4-5,9-10,14-16H,6-8,11-13H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one?
(2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 328.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(benzimidazol-1-yl)-1-[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 92582371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).