1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide

C19H25F4N3O — CID 143204055

IUPAC1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide
SMILESCCn1c(C(C)(F)F)nc2cc(NC(C)=O)ccc21.FC1(F)CCCCC1
InChIInChI=1S/C13H15F2N3O.C6H10F2/c1-4-18-11-6-5-9(16-8(2)19)7-10(11)17-12(18)13(3,14)15;7-6(8)4-2-1-3-5-6/h5-7H,4H2,1-3H3,(H,16,19);1-5H2
InChIKeyMWKZSZMOWBZLBU-UHFFFAOYSA-N
MW387.42 g/mol
LogP5.71
Rot. Bonds3

About 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide

1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide (PubChem CID 143204055) has the molecular formula C19H25F4N3O and a molecular weight of 387.42 g/mol. Its IUPAC name is 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide.

Molecular Properties

Compound Name1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide
PubChem CID143204055
Molecular FormulaC19H25F4N3O
Molecular Weight387.42 g/mol
Exact Mass387.19
IUPAC Name1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide
SMILESCCn1c(C(C)(F)F)nc2cc(NC(C)=O)ccc21.FC1(F)CCCCC1
InChIInChI=1S/C13H15F2N3O.C6H10F2/c1-4-18-11-6-5-9(16-8(2)19)7-10(11)17-12(18)13(3,14)15;7-6(8)4-2-1-3-5-6/h5-7H,4H2,1-3H3,(H,16,19);1-5H2
InChIKeyMWKZSZMOWBZLBU-UHFFFAOYSA-N
XLogP5.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.42
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-tert-butyl-1-(cyclooctylmethyl)benzimidazol-5-yl]acetamide;molecular hydrogen
CID 143022132
N-[4-[[2-(1,1-difluoroethyl)-1-(2-methylpropyl)benzimidazol-5-yl]-methylamino]sulfanylphenyl]acetamide;ethane;methoxyethane
CID 143022280
2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
1-[4-[[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]-methylamino]sulfanylanilino]-3-hydroxypropan-2-one
CID 143022229
N-[2-tert-butyl-1-[(4,4-difluorocyclohexyl)methyl]benzimidazol-5-yl]ethanesulfonamide;sulfuric acid
CID 24785648
N-[2-[(2,4-difluorophenoxy)-difluoromethyl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456353
N-[2-[2-(4-chloro-2-fluorophenoxy)propan-2-yl]-1-ethylbenzimidazol-5-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118456312
N-(1-ethyl-2-methylindol-5-yl)-4,4-difluoropiperidine-1-carboxamide
CID 72862845
ethyl 2-[5-[(4-acetamidophenyl)sulfonylamino]-2-tert-butylbenzimidazol-1-yl]acetate
CID 91152794
2-tert-butyl-1-ethyl-N-methoxy-N-methylbenzimidazole-5-carboxamide;cyclohexane
CID 142973027
1-(3-acetylphenyl)-3-(1-ethyl-2-methylbenzimidazol-5-yl)urea
CID 9267921

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide?
The IUPAC name of 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide (CID 143204055) is 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide.
What is the SMILES notation for 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide?
The canonical SMILES for 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide is CCn1c(C(C)(F)F)nc2cc(NC(C)=O)ccc21.FC1(F)CCCCC1.
What is the InChIKey of 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide?
The InChIKey is MWKZSZMOWBZLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O.C6H10F2/c1-4-18-11-6-5-9(16-8(2)19)7-10(11)17-12(18)13(3,14)15;7-6(8)4-2-1-3-5-6/h5-7H,4H2,1-3H3,(H,16,19);1-5H2.
What are the key properties of 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide?
1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide has a molecular weight of 387.42 g/mol, XLogP of 5.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorocyclohexane;N-[2-(1,1-difluoroethyl)-1-ethylbenzimidazol-5-yl]acetamide is sourced from PubChem (CID 143204055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).