N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C20H22F3N3O — CID 27650234

IUPACN-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)18-24-15-3-1-2-4-16(15)26(18)11-17(27)25-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,25,27)
InChIKeyWSZKSMDMQCMPGD-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.14
Rot. Bonds3

About N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 27650234) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID27650234
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H22F3N3O/c21-20(22,23)18-24-15-3-1-2-4-16(15)26(18)11-17(27)25-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,25,27)
InChIKeyWSZKSMDMQCMPGD-UHFFFAOYSA-N
XLogP4.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-(1-adamantyl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]acetamide
CID 9110781
[2-(1-adamantyl)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 5114931
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
2-[(3S)-3-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]oxolan-3-yl]acetic acid
CID 129469318
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
N,N-diethyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 977171

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 27650234) is N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is WSZKSMDMQCMPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c21-20(22,23)18-24-15-3-1-2-4-16(15)26(18)11-17(27)25-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,25,27).
What are the key properties of N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 27650234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).