[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone

C104H109ClF3N15O6 — CID 167660412

IUPAC[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
SMILESCC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.CC(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.COc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C23H27N3O.C22H25N3O.C20H18F3N3O.C20H21N3O2.C19H18ClN3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25;1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24;21-20(22,23)15-5-4-6-16(12-15)26-13-24-17-11-14(7-8-18(17)26)19(27)25-9-2-1-3-10-25;1-25-17-7-5-6-16(13-17)23-14-21-18-12-15(8-9-19(18)23)20(24)22-10-3-2-4-11-22;20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h7-11,14-16H,4-6,12-13H2,1-3H3;6-10,13-16H,3-5,11-12H2,1-2H3;4-8,11-13H,1-3,9-10H2;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13H,1-3,9-10H2
InChIKeyRWKKNLFSAQNHRM-UHFFFAOYSA-N
MW1757.56 g/mol
LogP22.36
Rot. Bonds12

About [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone

[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone (PubChem CID 167660412) has the molecular formula C104H109ClF3N15O6 and a molecular weight of 1757.56 g/mol. Its IUPAC name is [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone.

Molecular Properties

Compound Name[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
PubChem CID167660412
Molecular FormulaC104H109ClF3N15O6
Molecular Weight1757.56 g/mol
Exact Mass1755.83
IUPAC Name[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone
SMILESCC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.CC(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.COc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C23H27N3O.C22H25N3O.C20H18F3N3O.C20H21N3O2.C19H18ClN3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25;1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24;21-20(22,23)15-5-4-6-16(12-15)26-13-24-17-11-14(7-8-18(17)26)19(27)25-9-2-1-3-10-25;1-25-17-7-5-6-16(13-17)23-14-21-18-12-15(8-9-19(18)23)20(24)22-10-3-2-4-11-22;20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h7-11,14-16H,4-6,12-13H2,1-3H3;6-10,13-16H,3-5,11-12H2,1-2H3;4-8,11-13H,1-3,9-10H2;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13H,1-3,9-10H2
InChIKeyRWKKNLFSAQNHRM-UHFFFAOYSA-N
XLogP22.36
TPSA199.88 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms129
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.56
LogP ≤ 522.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
The IUPAC name of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone (CID 167660412) is [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone.
What is the SMILES notation for [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
The canonical SMILES for [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone is CC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.CC(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.COc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1.O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1.O=C(c1ccc2c(c1)ncn2-c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
The InChIKey is RWKKNLFSAQNHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.C22H25N3O.C20H18F3N3O.C20H21N3O2.C19H18ClN3O/c1-23(2,3)18-8-7-9-19(15-18)26-16-24-20-14-17(10-11-21(20)26)22(27)25-12-5-4-6-13-25;1-16(2)17-7-6-8-19(13-17)25-15-23-20-14-18(9-10-21(20)25)22(26)24-11-4-3-5-12-24;21-20(22,23)15-5-4-6-16(12-15)26-13-24-17-11-14(7-8-18(17)26)19(27)25-9-2-1-3-10-25;1-25-17-7-5-6-16(13-17)23-14-21-18-12-15(8-9-19(18)23)20(24)22-10-3-2-4-11-22;20-15-5-4-6-16(12-15)23-13-21-17-11-14(7-8-18(17)23)19(24)22-9-2-1-3-10-22/h7-11,14-16H,4-6,12-13H2,1-3H3;6-10,13-16H,3-5,11-12H2,1-2H3;4-8,11-13H,1-3,9-10H2;5-9,12-14H,2-4,10-11H2,1H3;4-8,11-13H,1-3,9-10H2.
What are the key properties of [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone?
[1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone has a molecular weight of 1757.56 g/mol, XLogP of 22.36, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-chlorophenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;[1-(3-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-(3-propan-2-ylphenyl)benzimidazol-5-yl]methanone;piperidin-1-yl-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]methanone is sourced from PubChem (CID 167660412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).