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

C22H24N4O3 — CID 110400197

IUPAC5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-14(2)15-3-5-16(6-4-15)20(27)25-9-11-26(12-10-25)21(28)17-7-8-18-19(13-17)24-22(29)23-18/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,29)
InChIKeyKQCBAAFFRJWYGZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.58
Rot. Bonds3

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

5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 110400197) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID110400197
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1
InChIInChI=1S/C22H24N4O3/c1-14(2)15-3-5-16(6-4-15)20(27)25-9-11-26(12-10-25)21(28)17-7-8-18-19(13-17)24-22(29)23-18/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,29)
InChIKeyKQCBAAFFRJWYGZ-UHFFFAOYSA-N
XLogP2.58
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.58
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-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815622
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
5-(4-pentanoylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110400181
3-ethyl-7-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione
CID 55827425
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-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110807796
5-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110815753
(4-methylpiperazin-1-yl)-[4-(4-propan-2-ylphenyl)phenyl]methanone
CID 59232586
[4-(6-methylpyridine-3-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 39991441

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one (CID 110400197) is 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is CC(C)c1ccc(C(=O)N2CCN(C(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1.
What is the InChIKey of 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KQCBAAFFRJWYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)15-3-5-16(6-4-15)20(27)25-9-11-26(12-10-25)21(28)17-7-8-18-19(13-17)24-22(29)23-18/h3-8,13-14H,9-12H2,1-2H3,(H2,23,24,29).
What are the key properties of 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one?
5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 110400197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).