N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide

C12H11F2N3O — CID 113221540

IUPACN-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)n1ccnc1
InChIInChI=1S/C12H11F2N3O/c1-16(12(18)17-5-4-15-8-17)7-9-2-3-10(13)6-11(9)14/h2-6,8H,7H2,1H3
InChIKeyIHYVQOVCPNUABP-UHFFFAOYSA-N
MW251.24 g/mol
LogP2.26
Rot. Bonds2

About N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide

N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide (PubChem CID 113221540) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
PubChem CID113221540
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)n1ccnc1
InChIInChI=1S/C12H11F2N3O/c1-16(12(18)17-5-4-15-8-17)7-9-2-3-10(13)6-11(9)14/h2-6,8H,7H2,1H3
InChIKeyIHYVQOVCPNUABP-UHFFFAOYSA-N
XLogP2.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
(2R)-N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-imidazol-1-ylpropanamide
CID 95164467
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2-bromo-N-[(2,4-difluorophenyl)methyl]-N-methylpropanamide
CID 107904260
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238
3-[(2,4-difluorophenyl)methyl-methylamino]-3-oxopropanoic acid
CID 55049729
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
3-amino-N-[(2,4-difluorophenyl)methyl]-N-methylbutanamide;hydrochloride
CID 119703011
N-[(4-ethoxyphenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722731
N-[(2,4-difluorophenyl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 134046604
N-methyl-N-(1,3-thiazol-4-ylmethyl)imidazole-1-carboxamide
CID 78973053

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide (CID 113221540) is N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)n1ccnc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide?
The InChIKey is IHYVQOVCPNUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c1-16(12(18)17-5-4-15-8-17)7-9-2-3-10(13)6-11(9)14/h2-6,8H,7H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide has a molecular weight of 251.24 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 113221540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).