5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

C17H22N4O3 — CID 110400185

IUPAC5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)15(23)21-8-6-20(7-9-21)14(22)11-4-5-12-13(10-11)19-16(24)18-12/h4-5,10H,6-9H2,1-3H3,(H2,18,19,24)
InChIKeyDQZVYINXMVUINH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.19
Rot. Bonds1

About 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one

5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110400185) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110400185
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C17H22N4O3/c1-17(2,3)15(23)21-8-6-20(7-9-21)14(22)11-4-5-12-13(10-11)19-16(24)18-12/h4-5,10H,6-9H2,1-3H3,(H2,18,19,24)
InChIKeyDQZVYINXMVUINH-UHFFFAOYSA-N
XLogP1.19
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642429
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400122
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110400197
5-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
5-[4-[1-(dimethylamino)-2-methylpropan-2-yl]piperidine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 166254479
4-(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110400210
5-(4-benzylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692320
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541163
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110807796
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110365289
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 119708838

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 110400185) is 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is CC(C)(C)C(=O)N1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DQZVYINXMVUINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)15(23)21-8-6-20(7-9-21)14(22)11-4-5-12-13(10-11)19-16(24)18-12/h4-5,10H,6-9H2,1-3H3,(H2,18,19,24).
What are the key properties of 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 330.39 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110400185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).