N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide

C11H10FN3O — CID 39869812

IUPACN-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)7-14-11(16)15-6-5-13-8-15/h1-6,8H,7H2,(H,14,16)
InChIKeyOUDDIEXLQYSGJI-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.78
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide

N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide (PubChem CID 39869812) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
PubChem CID39869812
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)7-14-11(16)15-6-5-13-8-15/h1-6,8H,7H2,(H,14,16)
InChIKeyOUDDIEXLQYSGJI-UHFFFAOYSA-N
XLogP1.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 28818830
N-[(3-fluoro-1H-indol-2-yl)methyl]imidazole-1-carboxamide
CID 176708269
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
(2S)-N-[(4-fluorophenyl)methyl]-2-(2-imidazol-1-ylethyl)piperidine-1-carboxamide
CID 95722375
N-[(1-methylimidazol-2-yl)methyl]imidazole-1-carboxamide
CID 63295768
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
N-(2-sulfanylethyl)imidazole-1-carboxamide
CID 58107367
2-(4-fluorophenoxy)-1-imidazol-1-ylethanone
CID 82114299
2,4-difluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35858985

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide (CID 39869812) is N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide is O=C(NCc1ccc(F)cc1)n1ccnc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide?
The InChIKey is OUDDIEXLQYSGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-10-3-1-9(2-4-10)7-14-11(16)15-6-5-13-8-15/h1-6,8H,7H2,(H,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide?
N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide is sourced from PubChem (CID 39869812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).