N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C20H20F3N3O2 — CID 18206073

IUPACN-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2/c1-14-25-17-4-2-3-5-18(17)26(14)11-10-24-19(27)16-8-6-15(7-9-16)12-28-13-20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyASCYIODLAGCMGC-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.85
Rot. Bonds7

About N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 18206073) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID18206073
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2/c1-14-25-17-4-2-3-5-18(17)26(14)11-10-24-19(27)16-8-6-15(7-9-16)12-28-13-20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27)
InChIKeyASCYIODLAGCMGC-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
methyl 6-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 33440660
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 26444132
2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenylpropanamide
CID 37210944
N-(3-phenoxypropyl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55484171
3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-oxophthalazine-1-carboxamide
CID 4825768

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 18206073) is N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is Cc1nc2ccccc2n1CCNC(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is ASCYIODLAGCMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-14-25-17-4-2-3-5-18(17)26(14)11-10-24-19(27)16-8-6-15(7-9-16)12-28-13-20(21,22)23/h2-9H,10-13H2,1H3,(H,24,27).
What are the key properties of N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 391.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 18206073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).