tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate

C17H22F3N3O2 — CID 91107429

IUPACtert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
SMILESCCn1c(CCNC(=O)OC(C)(C)C)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H22F3N3O2/c1-5-23-13-10-11(17(18,19)20)6-7-12(13)22-14(23)8-9-21-15(24)25-16(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,21,24)
InChIKeyDVEHMPRYEWANOZ-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.14
Rot. Bonds4

About tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate (PubChem CID 91107429) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
PubChem CID91107429
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Nametert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
SMILESCCn1c(CCNC(=O)OC(C)(C)C)nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C17H22F3N3O2/c1-5-23-13-10-11(17(18,19)20)6-7-12(13)22-14(23)8-9-21-15(24)25-16(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,21,24)
InChIKeyDVEHMPRYEWANOZ-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazole-5-carboxylic acid
CID 134560810
tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
CID 123697961
methyl 3-[3-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazol-5-yl]prop-2-enoate
CID 123408111
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
tert-butyl N-[2-[1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]ethyl]carbamate
CID 11742008
[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-methylcarbamic acid
CID 68886779
2-[6-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate
CID 13015892
2-[6-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate
CID 59442867
tert-butyl N-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propyl]carbamate
CID 141048401
tert-butyl N-[3-[2-hydrazinyl-4-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169468370
tert-butyl N-[4-[2-nitro-4-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170491397
tert-butyl N-[2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamate
CID 102716232

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate (CID 91107429) is tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate is CCn1c(CCNC(=O)OC(C)(C)C)nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate?
The InChIKey is DVEHMPRYEWANOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c1-5-23-13-10-11(17(18,19)20)6-7-12(13)22-14(23)8-9-21-15(24)25-16(2,3)4/h6-7,10H,5,8-9H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate has a molecular weight of 357.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 91107429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).