2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C27H27FN6 — CID 14518026

IUPAC2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(Cn2c(CC3CCN(Cc4cn5cccnc5n4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C27H27FN6/c28-22-8-6-21(7-9-22)17-34-25-5-2-1-4-24(25)31-26(34)16-20-10-14-32(15-11-20)18-23-19-33-13-3-12-29-27(33)30-23/h1-9,12-13,19-20H,10-11,14-18H2
InChIKeyVIVAJPNSOFAXTM-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.72
Rot. Bonds6

About 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 14518026) has the molecular formula C27H27FN6 and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID14518026
Molecular FormulaC27H27FN6
Molecular Weight454.55 g/mol
Exact Mass454.23
IUPAC Name2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESFc1ccc(Cn2c(CC3CCN(Cc4cn5cccnc5n4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C27H27FN6/c28-22-8-6-21(7-9-22)17-34-25-5-2-1-4-24(25)31-26(34)16-20-10-14-32(15-11-20)18-23-19-33-13-3-12-29-27(33)30-23/h1-9,12-13,19-20H,10-11,14-18H2
InChIKeyVIVAJPNSOFAXTM-UHFFFAOYSA-N
XLogP4.72
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 14518026) is 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is Fc1ccc(Cn2c(CC3CCN(Cc4cn5cccnc5n4)CC3)nc3ccccc32)cc1.
What is the InChIKey of 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is VIVAJPNSOFAXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN6/c28-22-8-6-21(7-9-22)17-34-25-5-2-1-4-24(25)31-26(34)16-20-10-14-32(15-11-20)18-23-19-33-13-3-12-29-27(33)30-23/h1-9,12-13,19-20H,10-11,14-18H2.
What are the key properties of 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 454.55 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]piperidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 14518026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).