N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide

C10H13F2N3O — CID 126770942

IUPACN-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCC2CC(F)(F)C2)c1
InChIInChI=1S/C10H13F2N3O/c1-15-5-8(14-6-15)9(16)13-4-7-2-10(11,12)3-7/h5-7H,2-4H2,1H3,(H,13,16)
InChIKeyIUWFLXPHTMSJTN-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.20
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide (PubChem CID 126770942) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide
PubChem CID126770942
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)NCC2CC(F)(F)C2)c1
InChIInChI=1S/C10H13F2N3O/c1-15-5-8(14-6-15)9(16)13-4-7-2-10(11,12)3-7/h5-7H,2-4H2,1H3,(H,13,16)
InChIKeyIUWFLXPHTMSJTN-UHFFFAOYSA-N
XLogP1.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide (CID 126770942) is N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)NCC2CC(F)(F)C2)c1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide?
The InChIKey is IUWFLXPHTMSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-15-5-8(14-6-15)9(16)13-4-7-2-10(11,12)3-7/h5-7H,2-4H2,1H3,(H,13,16).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide?
N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 126770942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).