N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride

C14H18ClF3N4O — CID 120832280

IUPACN-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.Cl
InChIInChI=1S/C14H17F3N4O.ClH/c1-9(18-2)7-19-12(22)8-21-11-6-4-3-5-10(11)20-13(21)14(15,16)17;/h3-6,9,18H,7-8H2,1-2H3,(H,19,22);1H
InChIKeyDCIWIDRZKCPBCE-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride

N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride (PubChem CID 120832280) has the molecular formula C14H18ClF3N4O and a molecular weight of 350.77 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
PubChem CID120832280
Molecular FormulaC14H18ClF3N4O
Molecular Weight350.77 g/mol
Exact Mass350.11
IUPAC NameN-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
SMILESCNC(C)CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.Cl
InChIInChI=1S/C14H17F3N4O.ClH/c1-9(18-2)7-19-12(22)8-21-11-6-4-3-5-10(11)20-13(21)14(15,16)17;/h3-6,9,18H,7-8H2,1-2H3,(H,19,22);1H
InChIKeyDCIWIDRZKCPBCE-UHFFFAOYSA-N
XLogP2.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
(2S)-3-methyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]butanoic acid
CID 119360208
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 26706070
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 25389246
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891
N-(3-methyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39951951
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride (CID 120832280) is N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride is CNC(C)CNC(=O)Cn1c(C(F)(F)F)nc2ccccc21.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
The InChIKey is DCIWIDRZKCPBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O.ClH/c1-9(18-2)7-19-12(22)8-21-11-6-4-3-5-10(11)20-13(21)14(15,16)17;/h3-6,9,18H,7-8H2,1-2H3,(H,19,22);1H.
What are the key properties of N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride?
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride has a molecular weight of 350.77 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120832280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).