(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide

C16H18F3N5O2 — CID 124984378

IUPAC(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1C(N)=O
InChIInChI=1S/C16H18F3N5O2/c1-22-6-7-23(8-12(22)14(20)26)13(25)9-24-11-5-3-2-4-10(11)21-15(24)16(17,18)19/h2-5,12H,6-9H2,1H3,(H2,20,26)/t12-/m0/s1
InChIKeyNKHMTHMJKMHIOW-LBPRGKRZSA-N
MW369.35 g/mol
LogP0.68
Rot. Bonds3

About (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide

(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide (PubChem CID 124984378) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
PubChem CID124984378
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
SMILESCN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1C(N)=O
InChIInChI=1S/C16H18F3N5O2/c1-22-6-7-23(8-12(22)14(20)26)13(25)9-24-11-5-3-2-4-10(11)21-15(24)16(17,18)19/h2-5,12H,6-9H2,1H3,(H2,20,26)/t12-/m0/s1
InChIKeyNKHMTHMJKMHIOW-LBPRGKRZSA-N
XLogP0.68
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 27509574
1-[(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 99845654
1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 43035223
N'-hydroxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanimidamide
CID 19615374
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171
N-cyclopropyl-N-(3-methylbutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55572138
1-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 41137647
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
1-(3,4-dimethoxyphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 21179267
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 29348413
[2-(1-adamantyl)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 5114931

Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide (CID 124984378) is (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide is CN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide?
The InChIKey is NKHMTHMJKMHIOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18F3N5O2/c1-22-6-7-23(8-12(22)14(20)26)13(25)9-24-11-5-3-2-4-10(11)21-15(24)16(17,18)19/h2-5,12H,6-9H2,1H3,(H2,20,26)/t12-/m0/s1.
What are the key properties of (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide?
(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide has a molecular weight of 369.35 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide is sourced from PubChem (CID 124984378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).