[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

C14H21F2N5O — CID 119868025

IUPAC[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H21F2N5O/c15-14(16)21-5-4-18-12(21)10-19-6-8-20(9-7-19)13(22)11-2-1-3-17-11/h4-5,11,14,17H,1-3,6-10H2
InChIKeyKMDAFNGHSXKMPB-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.67
Rot. Bonds4

About [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119868025) has the molecular formula C14H21F2N5O and a molecular weight of 313.35 g/mol. Its IUPAC name is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119868025
Molecular FormulaC14H21F2N5O
Molecular Weight313.35 g/mol
Exact Mass313.17
IUPAC Name[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESO=C(C1CCCN1)N1CCN(Cc2nccn2C(F)F)CC1
InChIInChI=1S/C14H21F2N5O/c15-14(16)21-5-4-18-12(21)10-19-6-8-20(9-7-19)13(22)11-2-1-3-17-11/h4-5,11,14,17H,1-3,6-10H2
InChIKeyKMDAFNGHSXKMPB-UHFFFAOYSA-N
XLogP0.67
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrazin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
CID 44565870
N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53566717
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
N-cyclopentyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53612206
(2S,4S)-4-[(2,2-dimethylpropanoyl)amino]-N-(1H-imidazol-2-ylmethyl)-1-methylpyrrolidine-2-carboxamide
CID 56718025
1-(4-piperidinyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)prolinamide dihydrochloride
CID 56759612
N-tert-butyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-2-carboxamide
CID 56787451
1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56789695

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 119868025) is [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is O=C(C1CCCN1)N1CCN(Cc2nccn2C(F)F)CC1.
What is the InChIKey of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is KMDAFNGHSXKMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5O/c15-14(16)21-5-4-18-12(21)10-19-6-8-20(9-7-19)13(22)11-2-1-3-17-11/h4-5,11,14,17H,1-3,6-10H2.
What are the key properties of [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 313.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119868025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).