1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide

C104H120F12N12O16S4 — CID 158861731

IUPAC1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
SMILESCCn1c(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/4C26H30F3N3O4S/c4*1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h4*5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t2*18-,23+;2*18-,23-/m1010/s1
InChIKeyJASYSCNKKBLQAN-RVNAUQOBSA-N
MW2150.42 g/mol
LogP18.72
Rot. Bonds32

About 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide

1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide (PubChem CID 158861731) has the molecular formula C104H120F12N12O16S4 and a molecular weight of 2150.42 g/mol. Its IUPAC name is 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
PubChem CID158861731
Molecular FormulaC104H120F12N12O16S4
Molecular Weight2150.42 g/mol
Exact Mass2148.76
IUPAC Name1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
SMILESCCn1c(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21
InChIInChI=1S/4C26H30F3N3O4S/c4*1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h4*5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t2*18-,23+;2*18-,23-/m1010/s1
InChIKeyJASYSCNKKBLQAN-RVNAUQOBSA-N
XLogP18.72
TPSA361.16 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002150.42
LogP ≤ 518.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide with MolForge

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Related Compounds

1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 126556085
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 126556086
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 126556087
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 135298239
N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)oxy)-1H-benzo[d]imidazole-5-carboxamide
CID 146403518
1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)oxy)-1H-benzo[d]imidazole-5-carboxamide
CID 146403529
N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)oxy)-1H-benzo[d]imidazole-5-carboxamideN-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1s,4s)-4-(trifluoromethyl)cyclohexyl)oxy)-1H-benzo[d]imidazole-5-carboxamide
CID 154584190
1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2-((6-(trifluoromethyl)tetrahydro-2H-pyran-3-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 154584193
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 135301055
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 135301056
1-ethyl-N-[(4-ethylsulfanylphenyl)methyl]-2-[[(3S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 155178391
1-ethyl-N-[(4-ethylsulfanylphenyl)methyl]-2-[[(3R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide
CID 155178425

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide (CID 158861731) is 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide is CCn1c(C[C@@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@H]2CC[C@@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.CCn1c(C[C@H]2CC[C@H](C(F)(F)F)OC2)nc2cc(C(=O)NCc3ccc(S(=O)(=O)CC)cc3)ccc21.
What is the InChIKey of 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide?
The InChIKey is JASYSCNKKBLQAN-RVNAUQOBSA-N. The full InChI is InChI=1S/4C26H30F3N3O4S/c4*1-3-32-22-11-8-19(25(33)30-15-17-5-9-20(10-6-17)37(34,35)4-2)14-21(22)31-24(32)13-18-7-12-23(36-16-18)26(27,28)29/h4*5-6,8-11,14,18,23H,3-4,7,12-13,15-16H2,1-2H3,(H,30,33)/t2*18-,23+;2*18-,23-/m1010/s1.
What are the key properties of 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide?
1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide has a molecular weight of 2150.42 g/mol, XLogP of 18.72, 32 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6S)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide;1-ethyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[(3S,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 158861731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).