3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

C21H23F3N4O2 — CID 130366239

IUPAC3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOCCN(C)C(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N4O2/c1-28(10-11-30-2)19(29)13-18(14-6-5-7-15(12-14)21(22,23)24)27-20-25-16-8-3-4-9-17(16)26-20/h3-9,12,18H,10-11,13H2,1-2H3,(H2,25,26,27)
InChIKeyMCYZQNMQHQWGMU-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.23
Rot. Bonds8

About 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide

3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 130366239) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID130366239
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOCCN(C)C(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N4O2/c1-28(10-11-30-2)19(29)13-18(14-6-5-7-15(12-14)21(22,23)24)27-20-25-16-8-3-4-9-17(16)26-20/h3-9,12,18H,10-11,13H2,1-2H3,(H2,25,26,27)
InChIKeyMCYZQNMQHQWGMU-UHFFFAOYSA-N
XLogP4.23
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-ylamino)-N-(2-hydroxyethyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 130366151
3-(1H-benzimidazol-2-ylamino)-1-(4-hydroxypiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 130366146
2-(1H-benzimidazol-2-ylamino)-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 130366252
3-(1H-benzimidazol-2-ylamino)-N-methyl-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 137499349
N-(cyanomethyl)-N-ethyl-3-[[4-(hydroxymethyl)-1H-benzimidazol-2-yl]amino]-3-[3-(trifluoromethyl)phenyl]propanamide
CID 130366067
[3-[1-(1H-benzimidazol-2-ylamino)-3-(methylamino)-3-oxopropyl]phenyl]-methylsulfamic acid
CID 154632175
2-(1H-benzimidazol-2-ylamino)-1-(4-propan-2-ylsulfonylpiperazin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 130366218
N-[2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)acetamide
CID 86971896
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
CID 51059105
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide (CID 130366239) is 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is COCCN(C)C(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MCYZQNMQHQWGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-28(10-11-30-2)19(29)13-18(14-6-5-7-15(12-14)21(22,23)24)27-20-25-16-8-3-4-9-17(16)26-20/h3-9,12,18H,10-11,13H2,1-2H3,(H2,25,26,27).
What are the key properties of 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide?
3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 420.44 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylamino)-N-(2-methoxyethyl)-N-methyl-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 130366239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).