N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide

C26H28F3N5O — CID 155249406

IUPACN-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc2nc(C(C)NC(=O)C3CCN(Cc4c[nH]c5ccc(C(F)(F)F)cc45)CC3)[nH]c2c1
InChIInChI=1S/C26H28F3N5O/c1-15-3-5-22-23(11-15)33-24(32-22)16(2)31-25(35)17-7-9-34(10-8-17)14-18-13-30-21-6-4-19(12-20(18)21)26(27,28)29/h3-6,11-13,16-17,30H,7-10,14H2,1-2H3,(H,31,35)(H,32,33)
InChIKeySHSLWGFQKQFLRE-UHFFFAOYSA-N
MW483.54 g/mol
LogP5.46
Rot. Bonds5

About N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide

N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide (PubChem CID 155249406) has the molecular formula C26H28F3N5O and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide
PubChem CID155249406
Molecular FormulaC26H28F3N5O
Molecular Weight483.54 g/mol
Exact Mass483.22
IUPAC NameN-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide
SMILESCc1ccc2nc(C(C)NC(=O)C3CCN(Cc4c[nH]c5ccc(C(F)(F)F)cc45)CC3)[nH]c2c1
InChIInChI=1S/C26H28F3N5O/c1-15-3-5-22-23(11-15)33-24(32-22)16(2)31-25(35)17-7-9-34(10-8-17)14-18-13-30-21-6-4-19(12-20(18)21)26(27,28)29/h3-6,11-13,16-17,30H,7-10,14H2,1-2H3,(H,31,35)(H,32,33)
InChIKeySHSLWGFQKQFLRE-UHFFFAOYSA-N
XLogP5.46
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.54
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]pentan-1-one
CID 157392846
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 147061813
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
ethyl (2S)-2-[[1-(1H-indol-3-ylmethyl)piperidine-4-carbonyl]amino]propanoate;hydrochloride
CID 24832876
2-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 67595769
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
(3S)-1-(6-methyl-1H-benzimidazol-2-yl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 92876891
tert-butyl 4-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]carbamoyl]piperidine-1-carboxylate
CID 39966598
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 94494989
2-[(3R,4S)-3-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetic acid;hydrochloride
CID 146118536
N-[1-(2,5-dimethylphenyl)ethyl]-1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43927818

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide (CID 155249406) is N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide is Cc1ccc2nc(C(C)NC(=O)C3CCN(Cc4c[nH]c5ccc(C(F)(F)F)cc45)CC3)[nH]c2c1.
What is the InChIKey of N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide?
The InChIKey is SHSLWGFQKQFLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O/c1-15-3-5-22-23(11-15)33-24(32-22)16(2)31-25(35)17-7-9-34(10-8-17)14-18-13-30-21-6-4-19(12-20(18)21)26(27,28)29/h3-6,11-13,16-17,30H,7-10,14H2,1-2H3,(H,31,35)(H,32,33).
What are the key properties of N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide?
N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 5.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]-1-[[5-(trifluoromethyl)-1H-indol-3-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155249406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).