5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

C16H22N4O2 — CID 110642429

IUPAC5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)14(21)20-8-6-19(7-9-20)11-4-5-12-13(10-11)18-15(22)17-12/h4-5,10H,6-9H2,1-3H3,(H2,17,18,22)
InChIKeyQOVLKRQEJDDYOO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.55
Rot. Bonds1

About 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one

5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110642429) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110642429
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)14(21)20-8-6-19(7-9-20)11-4-5-12-13(10-11)18-15(22)17-12/h4-5,10H,6-9H2,1-3H3,(H2,17,18,22)
InChIKeyQOVLKRQEJDDYOO-UHFFFAOYSA-N
XLogP1.55
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.55
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-ethylsulfonylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 110642497
5-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110416988
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642459
5-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 136541163
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113075589
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113080329
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 25258480
5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642512
6-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400122
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
5-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642516

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one (CID 110642429) is 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is CC(C)(C)C(=O)N1CCN(c2ccc3[nH]c(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QOVLKRQEJDDYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)14(21)20-8-6-19(7-9-20)11-4-5-12-13(10-11)18-15(22)17-12/h4-5,10H,6-9H2,1-3H3,(H2,17,18,22).
What are the key properties of 5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one?
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 302.38 g/mol, XLogP of 1.55, 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)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110642429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).