[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde

C55H53F3N6O5 — CID 87400249

IUPAC[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde
SMILESC=O.COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(Cc2nc3ccc(F)cc3[nH]2)CC1.COc1cc(-c2ccccc2F)ccc1C(=O)N1CCC(Cc2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C27H25F2N3O2.C27H26FN3O2.CH2O/c1-34-25-15-18(20-4-2-3-5-22(20)29)6-8-21(25)27(33)32-12-10-17(11-13-32)14-26-30-23-9-7-19(28)16-24(23)31-26;1-33-25-16-20(19-5-3-2-4-6-19)7-9-22(25)27(32)31-13-11-18(12-14-31)15-26-29-23-10-8-21(28)17-24(23)30-26;1-2/h2-9,15-17H,10-14H2,1H3,(H,30,31);2-10,16-18H,11-15H2,1H3,(H,29,30);1H2
InChIKeyCWSRBTHIXWLZMO-UHFFFAOYSA-N
MW935.06 g/mol
LogP10.90
Rot. Bonds10

About [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde

[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde (PubChem CID 87400249) has the molecular formula C55H53F3N6O5 and a molecular weight of 935.06 g/mol. Its IUPAC name is [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde.

Molecular Properties

Compound Name[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde
PubChem CID87400249
Molecular FormulaC55H53F3N6O5
Molecular Weight935.06 g/mol
Exact Mass934.40
IUPAC Name[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde
SMILESC=O.COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(Cc2nc3ccc(F)cc3[nH]2)CC1.COc1cc(-c2ccccc2F)ccc1C(=O)N1CCC(Cc2nc3ccc(F)cc3[nH]2)CC1
InChIInChI=1S/C27H25F2N3O2.C27H26FN3O2.CH2O/c1-34-25-15-18(20-4-2-3-5-22(20)29)6-8-21(25)27(33)32-12-10-17(11-13-32)14-26-30-23-9-7-19(28)16-24(23)31-26;1-33-25-16-20(19-5-3-2-4-6-19)7-9-22(25)27(32)31-13-11-18(12-14-31)15-26-29-23-10-8-21(28)17-24(23)30-26;1-2/h2-9,15-17H,10-14H2,1H3,(H,30,31);2-10,16-18H,11-15H2,1H3,(H,29,30);1H2
InChIKeyCWSRBTHIXWLZMO-UHFFFAOYSA-N
XLogP10.90
TPSA133.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.06
LogP ≤ 510.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde?
The IUPAC name of [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde (CID 87400249) is [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde.
What is the SMILES notation for [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde?
The canonical SMILES for [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde is C=O.COc1cc(-c2ccccc2)ccc1C(=O)N1CCC(Cc2nc3ccc(F)cc3[nH]2)CC1.COc1cc(-c2ccccc2F)ccc1C(=O)N1CCC(Cc2nc3ccc(F)cc3[nH]2)CC1.
What is the InChIKey of [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde?
The InChIKey is CWSRBTHIXWLZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F2N3O2.C27H26FN3O2.CH2O/c1-34-25-15-18(20-4-2-3-5-22(20)29)6-8-21(25)27(33)32-12-10-17(11-13-32)14-26-30-23-9-7-19(28)16-24(23)31-26;1-33-25-16-20(19-5-3-2-4-6-19)7-9-22(25)27(32)31-13-11-18(12-14-31)15-26-29-23-10-8-21(28)17-24(23)30-26;1-2/h2-9,15-17H,10-14H2,1H3,(H,30,31);2-10,16-18H,11-15H2,1H3,(H,29,30);1H2.
What are the key properties of [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde?
[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde has a molecular weight of 935.06 g/mol, XLogP of 10.90, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-[4-(2-fluorophenyl)-2-methoxyphenyl]methanone;[4-[(6-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-1-yl]-(2-methoxy-4-phenylphenyl)methanone;formaldehyde is sourced from PubChem (CID 87400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).