(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide

C18H17F3N4O2 — CID 118938182

IUPAC(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc(-n2c(NC(=O)[C@H]3CC3(C)C)nc3ccc(C(F)(F)F)cc32)on1
InChIInChI=1S/C18H17F3N4O2/c1-9-6-14(27-24-9)25-13-7-10(18(19,20)21)4-5-12(13)22-16(25)23-15(26)11-8-17(11,2)3/h4-7,11H,8H2,1-3H3,(H,22,23,26)/t11-/m1/s1
InChIKeyRHQBPAOGTQUAIB-LLVKDONJSA-N
MW378.35 g/mol
LogP4.33
Rot. Bonds3

About (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide

(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide (PubChem CID 118938182) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide
PubChem CID118938182
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide
SMILESCc1cc(-n2c(NC(=O)[C@H]3CC3(C)C)nc3ccc(C(F)(F)F)cc32)on1
InChIInChI=1S/C18H17F3N4O2/c1-9-6-14(27-24-9)25-13-7-10(18(19,20)21)4-5-12(13)22-16(25)23-15(26)11-8-17(11,2)3/h4-7,11H,8H2,1-3H3,(H,22,23,26)/t11-/m1/s1
InChIKeyRHQBPAOGTQUAIB-LLVKDONJSA-N
XLogP4.33
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide (CID 118938182) is (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide is Cc1cc(-n2c(NC(=O)[C@H]3CC3(C)C)nc3ccc(C(F)(F)F)cc32)on1.
What is the InChIKey of (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
The InChIKey is RHQBPAOGTQUAIB-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c1-9-6-14(27-24-9)25-13-7-10(18(19,20)21)4-5-12(13)22-16(25)23-15(26)11-8-17(11,2)3/h4-7,11H,8H2,1-3H3,(H,22,23,26)/t11-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide?
(1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide has a molecular weight of 378.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-N-[1-(3-methyl-1,2-oxazol-5-yl)-6-(trifluoromethyl)benzimidazol-2-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 118938182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).