N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C15H22F2N4O — CID 119853701

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H22F2N4O/c1-20(9-13-18-6-7-21(13)15(16)17)14(22)12-8-10-4-2-3-5-11(10)19-12/h6-7,10-12,15,19H,2-5,8-9H2,1H3
InChIKeyWMYKKBYPAGTSDU-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.16
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119853701) has the molecular formula C15H22F2N4O and a molecular weight of 312.36 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119853701
Molecular FormulaC15H22F2N4O
Molecular Weight312.36 g/mol
Exact Mass312.18
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1nccn1C(F)F)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C15H22F2N4O/c1-20(9-13-18-6-7-21(13)15(16)17)14(22)12-8-10-4-2-3-5-11(10)19-12/h6-7,10-12,15,19H,2-5,8-9H2,1H3
InChIKeyWMYKKBYPAGTSDU-UHFFFAOYSA-N
XLogP2.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43564520
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119834044
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164
N-methyl-N-[(4-methylsulfinylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337338
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 91659787
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119266748
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]ethanone
CID 60500161
N-[(3-hydroxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60954154
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(furan-2-yl)-N-methylcyclopropane-1-carboxamide
CID 86852731
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119958215
N-[(2-chlorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119267603
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119836304

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119853701) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CN(Cc1nccn1C(F)F)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is WMYKKBYPAGTSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O/c1-20(9-13-18-6-7-21(13)15(16)17)14(22)12-8-10-4-2-3-5-11(10)19-12/h6-7,10-12,15,19H,2-5,8-9H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 312.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119853701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).