N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

C18H15FN4O2 — CID 47007581

IUPACN-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-14-5-7-15(8-6-14)23-11-21-10-16(23)18(25)22-9-12-1-3-13(4-2-12)17(20)24/h1-8,10-11H,9H2,(H2,20,24)(H,22,25)
InChIKeyFSNUOVSBNWYYPN-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.04
Rot. Bonds5

About N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (PubChem CID 47007581) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
PubChem CID47007581
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
SMILESNC(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H15FN4O2/c19-14-5-7-15(8-6-14)23-11-21-10-16(23)18(25)22-9-12-1-3-13(4-2-12)17(20)24/h1-8,10-11H,9H2,(H2,20,24)(H,22,25)
InChIKeyFSNUOVSBNWYYPN-UHFFFAOYSA-N
XLogP2.04
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]imidazole-4-carboxamide
CID 56552112
N-(3-aminobutyl)-3-(4-fluorophenyl)imidazole-4-carboxamide;dihydrochloride
CID 119495560
3-(4-fluorophenyl)-N'-[4-(methylsulfonylmethyl)benzoyl]imidazole-4-carbohydrazide
CID 9418541
N-[(4-carbamothioylphenyl)methyl]-3-methylimidazole-4-carboxamide
CID 103511000
3-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]imidazole-4-carboxamide;dihydrochloride
CID 120943165
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(4-chlorophenyl)methyl]imidazole-4-carboxamide
CID 46103141
ethyl N-[[3-(4-fluorophenyl)imidazole-4-carbonyl]amino]carbamate
CID 43002854
2-methoxyethyl 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 55475099
(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
CID 26965172
3-(4-fluorophenyl)-N'-[2-(2-fluorophenyl)acetyl]imidazole-4-carbohydrazide
CID 17474621
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
3-[4-(4-butylphenyl)phenyl]-N-[(2,6-difluorophenyl)methyl]imidazole-4-carboxamide
CID 24720807

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide (CID 47007581) is N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is NC(=O)c1ccc(CNC(=O)c2cncn2-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
The InChIKey is FSNUOVSBNWYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-5-7-15(8-6-14)23-11-21-10-16(23)18(25)22-9-12-1-3-13(4-2-12)17(20)24/h1-8,10-11H,9H2,(H2,20,24)(H,22,25).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide?
N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-3-(4-fluorophenyl)imidazole-4-carboxamide is sourced from PubChem (CID 47007581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).