N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide

C18H16ClF3N4O — CID 129348181

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H16ClF3N4O/c1-2-25-14-5-3-4-6-15(14)26(17(25)23)10-16(27)24-13-9-11(18(20,21)22)7-8-12(13)19/h3-9,23H,2,10H2,1H3,(H,24,27)/b23-17+
InChIKeyPZXSLKWSZHVXRV-HAVVHWLPSA-N
MW396.80 g/mol
LogP4.25
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide (PubChem CID 129348181) has the molecular formula C18H16ClF3N4O and a molecular weight of 396.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide
PubChem CID129348181
Molecular FormulaC18H16ClF3N4O
Molecular Weight396.80 g/mol
Exact Mass396.10
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C18H16ClF3N4O/c1-2-25-14-5-3-4-6-15(14)26(17(25)23)10-16(27)24-13-9-11(18(20,21)22)7-8-12(13)19/h3-9,23H,2,10H2,1H3,(H,24,27)/b23-17+
InChIKeyPZXSLKWSZHVXRV-HAVVHWLPSA-N
XLogP4.25
TPSA62.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195277
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 118717390
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409460
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2,4-dioxo-3-(pyridin-4-ylmethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 16952025
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[(1R)-1-[5-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
CID 126163717
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689931
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8911634

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide (CID 129348181) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide is [H]/N=c1\n(CC)c2ccccc2n1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide?
The InChIKey is PZXSLKWSZHVXRV-HAVVHWLPSA-N. The full InChI is InChI=1S/C18H16ClF3N4O/c1-2-25-14-5-3-4-6-15(14)26(17(25)23)10-16(27)24-13-9-11(18(20,21)22)7-8-12(13)19/h3-9,23H,2,10H2,1H3,(H,24,27)/b23-17+.
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide has a molecular weight of 396.80 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethyl-2-iminobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 129348181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).