tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone

C118H131F5N14O5 — CID 158869654

IUPACtert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(C1CC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C26H30FN3O.C25H28FN3O.C24H28FN3O2.C23H24FN3O.C20H21FN2/c27-22-10-6-7-19(17-22)18-30-24-12-5-4-11-23(24)28-25(30)20-13-15-29(16-14-20)26(31)21-8-2-1-3-9-21;26-21-9-5-6-18(16-21)17-29-23-11-4-3-10-22(23)27-24(29)19-12-14-28(15-13-19)25(30)20-7-1-2-8-20;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;24-19-5-3-4-16(14-19)15-27-21-7-2-1-6-20(21)25-22(27)17-10-12-26(13-11-17)23(28)18-8-9-18;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2;3-6,9-11,16,19-20H,1-2,7-8,12-15,17H2;4-10,15,18H,11-14,16H2,1-3H3;1-7,14,17-18H,8-13,15H2;4-7,10-13,16H,1-3,8-9,14H2
InChIKeyJBRLEPKSKZTUTC-UHFFFAOYSA-N
MW1920.43 g/mol
LogP25.58
Rot. Bonds18

About tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone

tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 158869654) has the molecular formula C118H131F5N14O5 and a molecular weight of 1920.43 g/mol. Its IUPAC name is tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Nametert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
PubChem CID158869654
Molecular FormulaC118H131F5N14O5
Molecular Weight1920.43 g/mol
Exact Mass1919.03
IUPAC Nametert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
SMILESCC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(C1CC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1
InChIInChI=1S/C26H30FN3O.C25H28FN3O.C24H28FN3O2.C23H24FN3O.C20H21FN2/c27-22-10-6-7-19(17-22)18-30-24-12-5-4-11-23(24)28-25(30)20-13-15-29(16-14-20)26(31)21-8-2-1-3-9-21;26-21-9-5-6-18(16-21)17-29-23-11-4-3-10-22(23)27-24(29)19-12-14-28(15-13-19)25(30)20-7-1-2-8-20;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;24-19-5-3-4-16(14-19)15-27-21-7-2-1-6-20(21)25-22(27)17-10-12-26(13-11-17)23(28)18-8-9-18;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2;3-6,9-11,16,19-20H,1-2,7-8,12-15,17H2;4-10,15,18H,11-14,16H2,1-3H3;1-7,14,17-18H,8-13,15H2;4-7,10-13,16H,1-3,8-9,14H2
InChIKeyJBRLEPKSKZTUTC-UHFFFAOYSA-N
XLogP25.58
TPSA179.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.43
LogP ≤ 525.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone;1-[(3-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole;oxane-4-carbonyl chloride
CID 161249495
1-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 20886884
cyclopropyl-[4-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]oxypiperidin-1-yl]methanone
CID 164619982
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]methanone
CID 159919309
N-[1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-4-yl]cyclohexanecarboxamide
CID 90040198
tert-butyl 4-[1-[(7,8-difluoro-2-oxo-1H-quinolin-4-yl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate
CID 59740693
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
tert-butyl N-[(3S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]-N-methylcarbamate
CID 97166944
ethane;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(Z)-1-(4-methylphenyl)prop-1-enyl]phenyl]methanone
CID 177142709
tert-butyl N-[[(3S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]methyl]carbamate
CID 97174399
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone (CID 158869654) is tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone is CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.Fc1cccc(Cn2c(C3CCCCC3)nc3ccccc32)c1.O=C(C1CC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.O=C(C1CCCCC1)N1CCC(c2nc3ccccc3n2Cc2cccc(F)c2)CC1.
What is the InChIKey of tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is JBRLEPKSKZTUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O.C25H28FN3O.C24H28FN3O2.C23H24FN3O.C20H21FN2/c27-22-10-6-7-19(17-22)18-30-24-12-5-4-11-23(24)28-25(30)20-13-15-29(16-14-20)26(31)21-8-2-1-3-9-21;26-21-9-5-6-18(16-21)17-29-23-11-4-3-10-22(23)27-24(29)19-12-14-28(15-13-19)25(30)20-7-1-2-8-20;1-24(2,3)30-23(29)27-13-11-18(12-14-27)22-26-20-9-4-5-10-21(20)28(22)16-17-7-6-8-19(25)15-17;24-19-5-3-4-16(14-19)15-27-21-7-2-1-6-20(21)25-22(27)17-10-12-26(13-11-17)23(28)18-8-9-18;21-17-10-6-7-15(13-17)14-23-19-12-5-4-11-18(19)22-20(23)16-8-2-1-3-9-16/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2;3-6,9-11,16,19-20H,1-2,7-8,12-15,17H2;4-10,15,18H,11-14,16H2,1-3H3;1-7,14,17-18H,8-13,15H2;4-7,10-13,16H,1-3,8-9,14H2.
What are the key properties of tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone?
tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 1920.43 g/mol, XLogP of 25.58, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-1-carboxylate;2-cyclohexyl-1-[(3-fluorophenyl)methyl]benzimidazole;cyclohexyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopentyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone;cyclopropyl-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 158869654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).