3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

C19H18F3N3O2 — CID 38545493

IUPAC3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18F3N3O2/c1-25(12-13-6-8-14(9-7-13)27-19(20,21)22)18(26)11-10-17-23-15-4-2-3-5-16(15)24-17/h2-9H,10-12H2,1H3,(H,23,24)
InChIKeyUDTAAVTVUFKPDH-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.05
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (PubChem CID 38545493) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
PubChem CID38545493
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
SMILESCN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H18F3N3O2/c1-25(12-13-6-8-14(9-7-13)27-19(20,21)22)18(26)11-10-17-23-15-4-2-3-5-16(15)24-17/h2-9H,10-12H2,1H3,(H,23,24)
InChIKeyUDTAAVTVUFKPDH-UHFFFAOYSA-N
XLogP4.05
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-methyl-3-pyridin-3-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
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3-(2-aminophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
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CID 37207871
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
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CID 42114788
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52569662
2-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide (CID 38545493) is 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is UDTAAVTVUFKPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-25(12-13-6-8-14(9-7-13)27-19(20,21)22)18(26)11-10-17-23-15-4-2-3-5-16(15)24-17/h2-9H,10-12H2,1H3,(H,23,24).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 377.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 38545493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).