N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C18H25F3N4O — CID 119585546

IUPACN-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C
InChIInChI=1S/C18H25F3N4O/c1-10(2)7-13(9-22)23-16(26)12-5-6-15-14(8-12)24-17(18(19,20)21)25(15)11(3)4/h5-6,8,10-11,13H,7,9,22H2,1-4H3,(H,23,26)
InChIKeyBSHZTGDNTJMPKQ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.74
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 119585546) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID119585546
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)CC(CN)NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C
InChIInChI=1S/C18H25F3N4O/c1-10(2)7-13(9-22)23-16(26)12-5-6-15-14(8-12)24-17(18(19,20)21)25(15)11(3)4/h5-6,8,10-11,13H,7,9,22H2,1-4H3,(H,23,26)
InChIKeyBSHZTGDNTJMPKQ-UHFFFAOYSA-N
XLogP3.74
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]hex-4-enoic acid
CID 120693849
5-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]pentanoic acid
CID 119234163
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119572382
2-methyl-2-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]butanoic acid
CID 119198889
N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 120568854
N-(2-cyanopropyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 56791222
N-[2-(aminomethyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119609318
N-[(2R)-2-(ethylamino)propyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
CID 120654134
1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
CID 119533539
N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119424364
N-[cyano-(2,4-difluorophenyl)methyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86957580
1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 166211006

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 119585546) is N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is CC(C)CC(CN)NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is BSHZTGDNTJMPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c1-10(2)7-13(9-22)23-16(26)12-5-6-15-14(8-12)24-17(18(19,20)21)25(15)11(3)4/h5-6,8,10-11,13H,7,9,22H2,1-4H3,(H,23,26).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 119585546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).