N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine

C80H94F9N11O8 — CID 158325484

IUPACN-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine
SMILESC.C1CCNCC1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(CO)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1
InChIInChI=1S/C28H33F3N4O2.C23H24F3N3O3.C23H22F3N3O3.C5H11N.CH4/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23;2*24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-10-15(13-31)6-9-20(19)29(22)18-7-4-14(12-30)5-8-18;1-2-4-6-5-3-1;/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32);1-3,6,9-11,13-14,18,30H,4-5,7-8,12H2,(H,27,28,32);6H,1-5H2;1H4
InChIKeyGPIVRXMJBAJNGV-UHFFFAOYSA-N
MW1508.68 g/mol
LogP16.78
Rot. Bonds16

About N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine

N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine (PubChem CID 158325484) has the molecular formula C80H94F9N11O8 and a molecular weight of 1508.68 g/mol. Its IUPAC name is N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine.

Molecular Properties

Compound NameN-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine
PubChem CID158325484
Molecular FormulaC80H94F9N11O8
Molecular Weight1508.68 g/mol
Exact Mass1507.71
IUPAC NameN-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine
SMILESC.C1CCNCC1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(CO)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1
InChIInChI=1S/C28H33F3N4O2.C23H24F3N3O3.C23H22F3N3O3.C5H11N.CH4/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23;2*24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-10-15(13-31)6-9-20(19)29(22)18-7-4-14(12-30)5-8-18;1-2-4-6-5-3-1;/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32);1-3,6,9-11,13-14,18,30H,4-5,7-8,12H2,(H,27,28,32);6H,1-5H2;1H4
InChIKeyGPIVRXMJBAJNGV-UHFFFAOYSA-N
XLogP16.78
TPSA254.02 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001508.68
LogP ≤ 516.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine with MolForge

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Related Compounds

N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10114595
N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10142476
N-[5-[[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]methyl]-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 138620560
2-[2-[3,5-bis(trifluoromethyl)phenyl]-1-[[4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carbonyl]amino]ethyl]-1-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxylic acid
CID 21023500
N-[1-[3-(hydroxymethyl)phenyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 21899131
N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 21899166
N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 21899175
1-Cyclohexyl-2-[3-[[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 23515496
(E)-4-fluoro-N-(6-(hydroxymethyl)-1-(cis-4-(isopropylcarbamoyl)cyclohexyl)-1H-benzo[d]imidazol-2(3H)-ylidene)benzamide
CID 56650025
4-fluoro-N-[6-(hydroxymethyl)-1-[4-(2-methylpropylamino)cyclohexyl]benzimidazol-2-yl]benzamide
CID 66728663
Methyl 4-[6-(hydroxymethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 68085101
(R)-1-(1-acryloylpiperidin-3-yl)-2-(3-(trifluoromethyl)benzamido)-1H-benzo[d]imidazole-5-carboxylic acid
CID 72704604

Frequently Asked Questions

What is the IUPAC name of N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine?
The IUPAC name of N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine (CID 158325484) is N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine.
What is the SMILES notation for N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine?
The canonical SMILES for N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine is C.C1CCNCC1.O=C(Nc1nc2cc(CN3CCCCC3)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=C(Nc1nc2cc(CO)ccc2n1C1CCC(CO)CC1)c1cccc(C(F)(F)F)c1.O=Cc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2C1CCC(CO)CC1.
What is the InChIKey of N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine?
The InChIKey is GPIVRXMJBAJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N4O2.C23H24F3N3O3.C23H22F3N3O3.C5H11N.CH4/c29-28(30,31)22-6-4-5-21(16-22)26(37)33-27-32-24-15-20(17-34-13-2-1-3-14-34)9-12-25(24)35(27)23-10-7-19(18-36)8-11-23;2*24-23(25,26)17-3-1-2-16(11-17)21(32)28-22-27-19-10-15(13-31)6-9-20(19)29(22)18-7-4-14(12-30)5-8-18;1-2-4-6-5-3-1;/h4-6,9,12,15-16,19,23,36H,1-3,7-8,10-11,13-14,17-18H2,(H,32,33,37);1-3,6,9-11,14,18,30-31H,4-5,7-8,12-13H2,(H,27,28,32);1-3,6,9-11,13-14,18,30H,4-5,7-8,12H2,(H,27,28,32);6H,1-5H2;1H4.
What are the key properties of N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine?
N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine has a molecular weight of 1508.68 g/mol, XLogP of 16.78, 16 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-formyl-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[1-[4-(hydroxymethyl)cyclohexyl]-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;N-[5-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide;methane;piperidine is sourced from PubChem (CID 158325484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).