N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide

C20H23FN6O — CID 122568490

IUPACN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(NCCCc1nc2ccc(F)cc2[nH]1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H23FN6O/c21-15-3-4-17-18(14-15)25-19(24-17)2-1-7-23-20(28)27-12-10-26(11-13-27)16-5-8-22-9-6-16/h3-6,8-9,14H,1-2,7,10-13H2,(H,23,28)(H,24,25)
InChIKeyJVLGYKCOUPTOAK-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.56
Rot. Bonds5

About N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide

N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 122568490) has the molecular formula C20H23FN6O and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID122568490
Molecular FormulaC20H23FN6O
Molecular Weight382.44 g/mol
Exact Mass382.19
IUPAC NameN-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESO=C(NCCCc1nc2ccc(F)cc2[nH]1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C20H23FN6O/c21-15-3-4-17-18(14-15)25-19(24-17)2-1-7-23-20(28)27-12-10-26(11-13-27)16-5-8-22-9-6-16/h3-6,8-9,14H,1-2,7,10-13H2,(H,23,28)(H,24,25)
InChIKeyJVLGYKCOUPTOAK-UHFFFAOYSA-N
XLogP2.56
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.56
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

4-(4-acetyl-2-fluorophenyl)-N-[3-(1H-benzimidazol-2-yl)propyl]piperazine-1-carboxamide
CID 24612804
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(4-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111164931
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 131945376
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
(1R,2R,4R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 46972732
(3S)-3-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97196027

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide (CID 122568490) is N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide is O=C(NCCCc1nc2ccc(F)cc2[nH]1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is JVLGYKCOUPTOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O/c21-15-3-4-17-18(14-15)25-19(24-17)2-1-7-23-20(28)27-12-10-26(11-13-27)16-5-8-22-9-6-16/h3-6,8-9,14H,1-2,7,10-13H2,(H,23,28)(H,24,25).
What are the key properties of N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide?
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 122568490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).