5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

C19H28N4O2 — CID 166254479

IUPAC5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)CC(C)(C)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H28N4O2/c1-19(2,12-22(3)4)14-7-9-23(10-8-14)17(24)13-5-6-15-16(11-13)21-18(25)20-15/h5-6,11,14H,7-10,12H2,1-4H3,(H2,20,21,25)
InChIKeyVERNJOKNHRHCLR-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.30
Rot. Bonds4

About 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 166254479) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID166254479
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)CC(C)(C)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C19H28N4O2/c1-19(2,12-22(3)4)14-7-9-23(10-8-14)17(24)13-5-6-15-16(11-13)21-18(25)20-15/h5-6,11,14H,7-10,12H2,1-4H3,(H2,20,21,25)
InChIKeyVERNJOKNHRHCLR-UHFFFAOYSA-N
XLogP2.30
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400185
5-[4-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 23284933
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
5-[(3S,4R)-4-amino-3-methoxypiperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 56876878
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
6-[3-(3,3-dimethylbutyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 154847156
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110400210
5-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815753
6-[(3R)-3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 99974461

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 166254479) is 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is CN(C)CC(C)(C)C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VERNJOKNHRHCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-19(2,12-22(3)4)14-7-9-23(10-8-14)17(24)13-5-6-15-16(11-13)21-18(25)20-15/h5-6,11,14H,7-10,12H2,1-4H3,(H2,20,21,25).
What are the key properties of 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 166254479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).