[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone

C22H21FN4O2 — CID 44783497

IUPAC[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)C2CC2)C(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H21FN4O2/c23-16-9-7-14(8-10-16)21(28)26-11-12-27(22(29)15-5-6-15)19(13-26)20-24-17-3-1-2-4-18(17)25-20/h1-4,7-10,15,19H,5-6,11-13H2,(H,24,25)
InChIKeyIHVYCKBWUOLVIV-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.14
Rot. Bonds3

About [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone

[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 44783497) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID44783497
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)C2CC2)C(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C22H21FN4O2/c23-16-9-7-14(8-10-16)21(28)26-11-12-27(22(29)15-5-6-15)19(13-26)20-24-17-3-1-2-4-18(17)25-20/h1-4,7-10,15,19H,5-6,11-13H2,(H,24,25)
InChIKeyIHVYCKBWUOLVIV-UHFFFAOYSA-N
XLogP3.14
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone (CID 44783497) is [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CC2)C(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is IHVYCKBWUOLVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-16-9-7-14(8-10-16)21(28)26-11-12-27(22(29)15-5-6-15)19(13-26)20-24-17-3-1-2-4-18(17)25-20/h1-4,7-10,15,19H,5-6,11-13H2,(H,24,25).
What are the key properties of [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone?
[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 392.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 44783497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).