4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

C21H20FN3O — CID 113081747

IUPAC4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nc2c(n1-c1ccccc1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O/c22-16-12-10-15(11-13-16)21(26)23-14-20-24-18-8-4-5-9-19(18)25(20)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,23,26)
InChIKeyKROMNKMUZZDPKY-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.82
Rot. Bonds4

About 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide

4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (PubChem CID 113081747) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
PubChem CID113081747
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
SMILESO=C(NCc1nc2c(n1-c1ccccc1)CCCC2)c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O/c22-16-12-10-15(11-13-16)21(26)23-14-20-24-18-8-4-5-9-19(18)25(20)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,23,26)
InChIKeyKROMNKMUZZDPKY-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 113081769
1-cyclohexyl-3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]urea
CID 113081782
N-[(4-fluorophenyl)methyl]-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 22522080
N-[(4-fluorophenyl)methyl]-4-(2-methyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20908798
2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081654
2-methoxy-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081619
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
4-fluoro-N-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]benzamide;hydrochloride
CID 53361168
1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30839353
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
4-fluoro-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17008873

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide (CID 113081747) is 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is O=C(NCc1nc2c(n1-c1ccccc1)CCCC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
The InChIKey is KROMNKMUZZDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-16-12-10-15(11-13-16)21(26)23-14-20-24-18-8-4-5-9-19(18)25(20)17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14H2,(H,23,26).
What are the key properties of 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide?
4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide has a molecular weight of 349.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 113081747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).