2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide

C21H23FN4O — CID 110121932

IUPAC2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESCN(C)Cc1cn(-c2ccccc2C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C21H23FN4O/c1-25(2)13-17-14-26(15-24-17)20-10-6-4-8-18(20)21(27)23-12-11-16-7-3-5-9-19(16)22/h3-10,14-15H,11-13H2,1-2H3,(H,23,27)
InChIKeyFAKGMMAKMSAVGO-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.05
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide

2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide (PubChem CID 110121932) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
PubChem CID110121932
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
SMILESCN(C)Cc1cn(-c2ccccc2C(=O)NCCc2ccccc2F)cn1
InChIInChI=1S/C21H23FN4O/c1-25(2)13-17-14-26(15-24-17)20-10-6-4-8-18(20)21(27)23-12-11-16-7-3-5-9-19(16)22/h3-10,14-15H,11-13H2,1-2H3,(H,23,27)
InChIKeyFAKGMMAKMSAVGO-UHFFFAOYSA-N
XLogP3.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 110121857
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 110121961
N-[2-(2-fluorophenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110852445
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
2-[4-(aminomethyl)imidazol-1-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 110121889
2-ethoxy-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 27847921
2-[4-(aminomethyl)imidazol-1-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 110121943
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-1-methylurea
CID 115603918
2-[4-[[methyl(methylsulfonyl)amino]methyl]imidazol-1-yl]benzoic acid
CID 110098588
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 110852457

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide (CID 110121932) is 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide is CN(C)Cc1cn(-c2ccccc2C(=O)NCCc2ccccc2F)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
The InChIKey is FAKGMMAKMSAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-25(2)13-17-14-26(15-24-17)20-10-6-4-8-18(20)21(27)23-12-11-16-7-3-5-9-19(16)22/h3-10,14-15H,11-13H2,1-2H3,(H,23,27).
What are the key properties of 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide?
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 110121932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).