2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole

C23H22FN5 — CID 17448653

IUPAC2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
SMILESFc1ccccc1CN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cn2)CC1
InChIInChI=1S/C23H22FN5/c24-19-6-2-1-5-18(19)16-28-11-13-29(14-12-28)22-10-9-17(15-25-22)23-26-20-7-3-4-8-21(20)27-23/h1-10,15H,11-14,16H2,(H,26,27)
InChIKeyVWXHBZCINAWRKU-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.09
Rot. Bonds4

About 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole

2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole (PubChem CID 17448653) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
PubChem CID17448653
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole
SMILESFc1ccccc1CN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cn2)CC1
InChIInChI=1S/C23H22FN5/c24-19-6-2-1-5-18(19)16-28-11-13-29(14-12-28)22-10-9-17(15-25-22)23-26-20-7-3-4-8-21(20)27-23/h1-10,15H,11-14,16H2,(H,26,27)
InChIKeyVWXHBZCINAWRKU-UHFFFAOYSA-N
XLogP4.09
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]quinoline
CID 9109583
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
2-[3-fluoro-4-[(4-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553765
6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 130271324
5-chloro-6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 130271317
2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 139028312
2-[6-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]-3-pyridinyl]-1H-benzimidazole
CID 12045900
1-[4-[4-(1H-benzimidazol-2-yl)-5-fluoro-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 123829889
2-[[4-(5-nitro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 110187118
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2,3-difluorophenyl)methyl]piperidine-4-carboxamide
CID 42290175
4-(4,4-difluoropiperidin-1-yl)-6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]pyrimidine
CID 172881564
2-[2-(4-ethenylsulfonylpiperazin-1-yl)-5-fluoro-4-pyridinyl]-1H-benzimidazole
CID 123464651

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole?
The IUPAC name of 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole (CID 17448653) is 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole is Fc1ccccc1CN1CCN(c2ccc(-c3nc4ccccc4[nH]3)cn2)CC1.
What is the InChIKey of 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole?
The InChIKey is VWXHBZCINAWRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c24-19-6-2-1-5-18(19)16-28-11-13-29(14-12-28)22-10-9-17(15-25-22)23-26-20-7-3-4-8-21(20)27-23/h1-10,15H,11-14,16H2,(H,26,27).
What are the key properties of 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole?
2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole has a molecular weight of 387.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 17448653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).