4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide

C23H26FN5O2 — CID 24612804

IUPAC4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCCCc3nc4ccccc4[nH]3)CC2)c(F)c1
InChIInChI=1S/C23H26FN5O2/c1-16(30)17-8-9-21(18(24)15-17)28-11-13-29(14-12-28)23(31)25-10-4-7-22-26-19-5-2-3-6-20(19)27-22/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,25,31)(H,26,27)
InChIKeyTZGPZJBRCOIBHZ-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.37
Rot. Bonds6

About 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide

4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide (PubChem CID 24612804) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
PubChem CID24612804
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
SMILESCC(=O)c1ccc(N2CCN(C(=O)NCCCc3nc4ccccc4[nH]3)CC2)c(F)c1
InChIInChI=1S/C23H26FN5O2/c1-16(30)17-8-9-21(18(24)15-17)28-11-13-29(14-12-28)23(31)25-10-4-7-22-26-19-5-2-3-6-20(19)27-22/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,25,31)(H,26,27)
InChIKeyTZGPZJBRCOIBHZ-UHFFFAOYSA-N
XLogP3.37
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-chlorobenzoyl)piperazine-1-carboxamide
CID 112815362
4-(4-acetyl-2-fluorophenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 17407851
4-(4-acetyl-2-fluorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837390
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122568490
4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(2-hydroxy-2-methylpropyl)-3-methylpiperazine-1-carboxamide
CID 136534323
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111164931
4-(4-acetyl-2-fluorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]piperazine-1-carboxamide
CID 55793977
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide (CID 24612804) is 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide is CC(=O)c1ccc(N2CCN(C(=O)NCCCc3nc4ccccc4[nH]3)CC2)c(F)c1.
What is the InChIKey of 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide?
The InChIKey is TZGPZJBRCOIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-16(30)17-8-9-21(18(24)15-17)28-11-13-29(14-12-28)23(31)25-10-4-7-22-26-19-5-2-3-6-20(19)27-22/h2-3,5-6,8-9,15H,4,7,10-14H2,1H3,(H,25,31)(H,26,27).
What are the key properties of 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide?
4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 24612804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).