N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide

C15H22F2N4O2 — CID 134381875

IUPACN-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCC(F)(F)CC1)C(=O)c1c(N(C)C=O)ncn1C
InChIInChI=1S/C15H22F2N4O2/c1-19(8-11-4-6-15(16,17)7-5-11)14(23)12-13(21(3)10-22)18-9-20(12)2/h9-11H,4-8H2,1-3H3
InChIKeyQAEYJRBJGRVEJK-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.91
Rot. Bonds5

About N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide (PubChem CID 134381875) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide
PubChem CID134381875
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide
SMILESCN(CC1CCC(F)(F)CC1)C(=O)c1c(N(C)C=O)ncn1C
InChIInChI=1S/C15H22F2N4O2/c1-19(8-11-4-6-15(16,17)7-5-11)14(23)12-13(21(3)10-22)18-9-20(12)2/h9-11H,4-8H2,1-3H3
InChIKeyQAEYJRBJGRVEJK-UHFFFAOYSA-N
XLogP1.91
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide (CID 134381875) is N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide is CN(CC1CCC(F)(F)CC1)C(=O)c1c(N(C)C=O)ncn1C.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide?
The InChIKey is QAEYJRBJGRVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-19(8-11-4-6-15(16,17)7-5-11)14(23)12-13(21(3)10-22)18-9-20(12)2/h9-11H,4-8H2,1-3H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide has a molecular weight of 328.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-5-[formyl(methyl)amino]-N,3-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 134381875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).