1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide

C14H18F2N4O — CID 126432423

IUPAC1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(C)n1C(F)F)c1ncc(C)[nH]1
InChIInChI=1S/C14H18F2N4O/c1-4-10(12-17-7-8(2)18-12)19-13(21)11-6-5-9(3)20(11)14(15)16/h5-7,10,14H,4H2,1-3H3,(H,17,18)(H,19,21)/t10-/m1/s1
InChIKeyNRSNQWRCUUOMRY-SNVBAGLBSA-N
MW296.32 g/mol
LogP3.10
Rot. Bonds5

About 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide

1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide (PubChem CID 126432423) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
PubChem CID126432423
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide
SMILESCC[C@@H](NC(=O)c1ccc(C)n1C(F)F)c1ncc(C)[nH]1
InChIInChI=1S/C14H18F2N4O/c1-4-10(12-17-7-8(2)18-12)19-13(21)11-6-5-9(3)20(11)14(15)16/h5-7,10,14H,4H2,1-3H3,(H,17,18)(H,19,21)/t10-/m1/s1
InChIKeyNRSNQWRCUUOMRY-SNVBAGLBSA-N
XLogP3.10
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3,5-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]-1,2-oxazole-4-carboxamide
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3-(2-aminoethoxy)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]benzamide
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N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 171135015
4-hydroxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide (CID 126432423) is 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide is CC[C@@H](NC(=O)c1ccc(C)n1C(F)F)c1ncc(C)[nH]1.
What is the InChIKey of 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide?
The InChIKey is NRSNQWRCUUOMRY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-4-10(12-17-7-8(2)18-12)19-13(21)11-6-5-9(3)20(11)14(15)16/h5-7,10,14H,4H2,1-3H3,(H,17,18)(H,19,21)/t10-/m1/s1.
What are the key properties of 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide?
1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]pyrrole-2-carboxamide is sourced from PubChem (CID 126432423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).