N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride

C17H25Cl2F3N4O — CID 120654134

IUPACN-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C.Cl.Cl
InChIInChI=1S/C17H23F3N4O.2ClH/c1-5-21-11(4)9-22-15(25)12-6-7-14-13(8-12)23-16(17(18,19)20)24(14)10(2)3;;/h6-8,10-11,21H,5,9H2,1-4H3,(H,22,25);2*1H/t11-;;/m1../s1
InChIKeyGUSJQXXZUNXESL-NVJADKKVSA-N
MW429.31 g/mol
LogP4.21
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride

N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride (PubChem CID 120654134) has the molecular formula C17H25Cl2F3N4O and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
PubChem CID120654134
Molecular FormulaC17H25Cl2F3N4O
Molecular Weight429.31 g/mol
Exact Mass428.14
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C.Cl.Cl
InChIInChI=1S/C17H23F3N4O.2ClH/c1-5-21-11(4)9-22-15(25)12-6-7-14-13(8-12)23-16(17(18,19)20)24(14)10(2)3;;/h6-8,10-11,21H,5,9H2,1-4H3,(H,22,25);2*1H/t11-;;/m1../s1
InChIKeyGUSJQXXZUNXESL-NVJADKKVSA-N
XLogP4.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 56791222
1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 166211006
5-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]pentanoic acid
CID 119234163
2-methyl-2-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]butanoic acid
CID 119198889
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
CID 119533539
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 99808402
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119585546
(E)-2-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]hex-4-enoic acid
CID 120693849
N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119424364
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone;dihydrochloride
CID 120659671
N-[2-(dimethylcarbamoyl)phenyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86955511

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride (CID 120654134) is N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride is CCN[C@H](C)CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C.Cl.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is GUSJQXXZUNXESL-NVJADKKVSA-N. The full InChI is InChI=1S/C17H23F3N4O.2ClH/c1-5-21-11(4)9-22-15(25)12-6-7-14-13(8-12)23-16(17(18,19)20)24(14)10(2)3;;/h6-8,10-11,21H,5,9H2,1-4H3,(H,22,25);2*1H/t11-;;/m1../s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride?
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 429.31 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120654134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).