N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide

C31H28F3N5O2 — CID 89058563

IUPACN-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
SMILESC=C1Nc2ccccc2N1C1CCN(C(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C31H28F3N5O2/c1-18-10-11-24-23(16-18)27(37-29(40)20-6-5-7-21(17-20)31(32,33)34)28(36-24)30(41)38-14-12-22(13-15-38)39-19(2)35-25-8-3-4-9-26(25)39/h3-11,16-17,22,35-36H,2,12-15H2,1H3,(H,37,40)
InChIKeyOIXFYZLHZNIIRD-UHFFFAOYSA-N
MW559.59 g/mol
LogP6.76
Rot. Bonds4

About N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide

N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 89058563) has the molecular formula C31H28F3N5O2 and a molecular weight of 559.59 g/mol. Its IUPAC name is N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID89058563
Molecular FormulaC31H28F3N5O2
Molecular Weight559.59 g/mol
Exact Mass559.22
IUPAC NameN-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
SMILESC=C1Nc2ccccc2N1C1CCN(C(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C31H28F3N5O2/c1-18-10-11-24-23(16-18)27(37-29(40)20-6-5-7-21(17-20)31(32,33)34)28(36-24)30(41)38-14-12-22(13-15-38)39-19(2)35-25-8-3-4-9-26(25)39/h3-11,16-17,22,35-36H,2,12-15H2,1H3,(H,37,40)
InChIKeyOIXFYZLHZNIIRD-UHFFFAOYSA-N
XLogP6.76
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.59
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-aminobenzimidazol-1-yl)piperidine-1-carbonyl]-5-methyl-1H-indol-3-yl]-3-(trifluoromethyl)benzamide
CID 143687487
4-fluoro-N-[5-methyl-2-(4-methylpiperidine-1-carbonyl)-1H-indol-3-yl]benzamide
CID 46391926
3-methyl-N-[2-[4-(3-methylphenyl)piperazine-1-carbonyl]-1H-indol-3-yl]benzamide
CID 46391982
3-[1-(3,5-dimethyl-1H-indole-2-carbonyl)piperidin-4-yl]-N-phenylpropanamide
CID 26325271
N-(4-methylphenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693352
[4-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 63595842
[4-(1-chloroethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 106839086
3-[[2-(3-oxo-2,4-dihydroquinoxalin-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2411299
3-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54842854
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
(4-propan-2-ylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 21025548
3-methyl-4-[4-[3-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 154852591

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide (CID 89058563) is N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide is C=C1Nc2ccccc2N1C1CCN(C(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OIXFYZLHZNIIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F3N5O2/c1-18-10-11-24-23(16-18)27(37-29(40)20-6-5-7-21(17-20)31(32,33)34)28(36-24)30(41)38-14-12-22(13-15-38)39-19(2)35-25-8-3-4-9-26(25)39/h3-11,16-17,22,35-36H,2,12-15H2,1H3,(H,37,40).
What are the key properties of N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 559.59 g/mol, XLogP of 6.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[4-(2-methylidene-3H-benzimidazol-1-yl)piperidine-1-carbonyl]-1H-indol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 89058563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).