2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole

C28H31FN4O2 — CID 10151959

IUPAC2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(F)c(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C28H31FN4O2/c1-34-23-11-12-24(29)22(17-23)18-31-13-15-32(16-14-31)20-28-30-25-8-4-5-9-26(25)33(28)19-21-7-3-6-10-27(21)35-2/h3-12,17H,13-16,18-20H2,1-2H3
InChIKeySFDFCMSBLAFMID-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.56
Rot. Bonds8

About 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole

2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole (PubChem CID 10151959) has the molecular formula C28H31FN4O2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
PubChem CID10151959
Molecular FormulaC28H31FN4O2
Molecular Weight474.58 g/mol
Exact Mass474.24
IUPAC Name2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(F)c(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3OC)CC2)c1
InChIInChI=1S/C28H31FN4O2/c1-34-23-11-12-24(29)22(17-23)18-31-13-15-32(16-14-31)20-28-30-25-8-4-5-9-26(25)33(28)19-21-7-3-6-10-27(21)35-2/h3-12,17H,13-16,18-20H2,1-2H3
InChIKeySFDFCMSBLAFMID-UHFFFAOYSA-N
XLogP4.56
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]-2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]benzimidazole
CID 10238976
2-(1,4-diazepan-1-ylmethyl)-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 58780378
1-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]benzimidazole
CID 16995895
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-[[4-[(5-bromo-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1-[(4-phenylmethoxyphenyl)methyl]benzimidazole
CID 10290063
1-[(2-methoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 16998195
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
2-[(4-ethylphenoxy)methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole
CID 16998336
1-[(4-chlorophenyl)methyl]-6-methoxy-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 66670689
1-[(2-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 940002
2-(azepan-1-ylmethyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 18885338
1-[(2-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazole
CID 102879181

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole (CID 10151959) is 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole is COc1ccc(F)c(CN2CCN(Cc3nc4ccccc4n3Cc3ccccc3OC)CC2)c1.
What is the InChIKey of 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole?
The InChIKey is SFDFCMSBLAFMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O2/c1-34-23-11-12-24(29)22(17-23)18-31-13-15-32(16-14-31)20-28-30-25-8-4-5-9-26(25)33(28)19-21-7-3-6-10-27(21)35-2/h3-12,17H,13-16,18-20H2,1-2H3.
What are the key properties of 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole?
2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole has a molecular weight of 474.58 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-fluoro-5-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1-[(2-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 10151959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).