2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

C23H23N5 — CID 59178087

IUPAC2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(C(c2nc3ccccc3[nH]2)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H23N5/c1-2-8-18(9-3-1)22(23-25-19-10-4-5-11-20(19)26-23)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13,22H,14-17H2,(H,25,26)
InChIKeyOKKPBMNWKPKICG-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.87
Rot. Bonds4

About 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole

2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole (PubChem CID 59178087) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
PubChem CID59178087
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
SMILESc1ccc(C(c2nc3ccccc3[nH]2)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C23H23N5/c1-2-8-18(9-3-1)22(23-25-19-10-4-5-11-20(19)26-23)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13,22H,14-17H2,(H,25,26)
InChIKeyOKKPBMNWKPKICG-UHFFFAOYSA-N
XLogP3.87
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-but-2-enedioic acid;2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 69199029
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 82562731
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
2-(4-pyridin-2-ylpiperazine-1-carbonyl)-3H-quinazolin-4-one
CID 135877794
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51053879
2-phenyl-1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78738418
5-[1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]furan-2-carboxylic acid
CID 22683858
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821
4-(4-benzhydrylpiperazin-1-yl)quinazoline
CID 1413844

Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole (CID 59178087) is 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole is c1ccc(C(c2nc3ccccc3[nH]2)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
The InChIKey is OKKPBMNWKPKICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-2-8-18(9-3-1)22(23-25-19-10-4-5-11-20(19)26-23)28-16-14-27(15-17-28)21-12-6-7-13-24-21/h1-13,22H,14-17H2,(H,25,26).
What are the key properties of 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole?
2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole has a molecular weight of 369.47 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 59178087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).