2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone

C14H15F3N4O2 — CID 67636618

IUPAC2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone
SMILESNc1cccc2c1nc(C(F)(F)F)n2CC(=O)C1CNCCO1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)13-20-12-8(18)2-1-3-9(12)21(13)7-10(22)11-6-19-4-5-23-11/h1-3,11,19H,4-7,18H2
InChIKeyKLLRUOHFQWZSMX-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.19
Rot. Bonds3

About 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone

2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone (PubChem CID 67636618) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone
PubChem CID67636618
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone
SMILESNc1cccc2c1nc(C(F)(F)F)n2CC(=O)C1CNCCO1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)13-20-12-8(18)2-1-3-9(12)21(13)7-10(22)11-6-19-4-5-23-11/h1-3,11,19H,4-7,18H2
InChIKeyKLLRUOHFQWZSMX-UHFFFAOYSA-N
XLogP1.19
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-phenylethyl)-2-(trifluoromethyl)benzimidazol-4-amine
CID 82068309
2-(furan-2-yl)-1-morpholin-2-ylethanone
CID 116561702
2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetohydrazide
CID 82067484
ethane;1-methyl-2-(trifluoromethyl)benzimidazol-4-amine
CID 143205877
2-(3-chlorophenyl)-1-morpholin-2-ylethanone
CID 116561676
propan-2-yl 2-(4-amino-2-tert-butylbenzimidazol-1-yl)acetate
CID 82067496
2-(2-chloro-3-fluorophenyl)-1-morpholin-2-ylethanone
CID 116561773
2-(3-bromo-6-phenylpyrrolo[3,2-b]pyridin-1-yl)-1-morpholin-2-ylethanone
CID 175092793
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
(2R)-morpholine-2-carboxamide
CID 51600069
2-(4-hydroxyphenyl)-1-morpholin-2-ylethanone
CID 116561735
2-(3,4-dichlorophenyl)-1-morpholin-2-ylethanone
CID 116561578

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone (CID 67636618) is 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone is Nc1cccc2c1nc(C(F)(F)F)n2CC(=O)C1CNCCO1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone?
The InChIKey is KLLRUOHFQWZSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)13-20-12-8(18)2-1-3-9(12)21(13)7-10(22)11-6-19-4-5-23-11/h1-3,11,19H,4-7,18H2.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone?
2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone has a molecular weight of 328.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)benzimidazol-1-yl]-1-morpholin-2-ylethanone is sourced from PubChem (CID 67636618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).