2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

C7H9F2N3O — CID 130671592

IUPAC2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
SMILESCc1[nH]cnc1CNC(=O)C(F)F
InChIInChI=1S/C7H9F2N3O/c1-4-5(12-3-11-4)2-10-7(13)6(8)9/h3,6H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyIGYPSBPNLUOPSM-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.60
Rot. Bonds3

About 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide (PubChem CID 130671592) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
PubChem CID130671592
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
SMILESCc1[nH]cnc1CNC(=O)C(F)F
InChIInChI=1S/C7H9F2N3O/c1-4-5(12-3-11-4)2-10-7(13)6(8)9/h3,6H,2H2,1H3,(H,10,13)(H,11,12)
InChIKeyIGYPSBPNLUOPSM-UHFFFAOYSA-N
XLogP0.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-{4-[(4-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl}acetamide
CID 74248778
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CID 119067776
(2S)-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-piperidin-1-ylpropanamide
CID 164642020
N-[2-[4-(trifluoromethyl)-1H-imidazol-5-yl]ethyl]acetamide
CID 591673
Histamine, 5-iodo-N-trifluoroacetyl-
CID 613398
4-(Trifluoroacetamidomethyl)imidazole
CID 18369281
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
2-[5-(aminomethyl)-4-methylimidazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53685528
N-[(2-ethyl-1H-imidazol-4-yl)methyl]-2,2,2-trifluoroacetamide
CID 57034232
1-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]thiourea
CID 57137672
1-cyano-2-methyl-3-[2-[[4-(trifluoromethyl)-1H-imidazol-5-yl]methylamino]ethyl]guanidine
CID 57180390
2,2,2-trifluoro-N-(1H-imidazol-5-ylmethyl)-N-methylacetamide
CID 57318631

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide (CID 130671592) is 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide is Cc1[nH]cnc1CNC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The InChIKey is IGYPSBPNLUOPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-4-5(12-3-11-4)2-10-7(13)6(8)9/h3,6H,2H2,1H3,(H,10,13)(H,11,12).
What are the key properties of 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide has a molecular weight of 189.17 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 130671592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).