N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide

C23H21FN4O — CID 162649515

IUPACN-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide
SMILESCN(C)c1cc2nc(Cc3ccccc3)[nH]c2cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O/c1-28(2)21-14-19-18(25-22(26-19)12-15-6-4-3-5-7-15)13-20(21)27-23(29)16-8-10-17(24)11-9-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyVWAMDXDVNVCUGD-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.61
Rot. Bonds5

About N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide

N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide (PubChem CID 162649515) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide
PubChem CID162649515
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide
SMILESCN(C)c1cc2nc(Cc3ccccc3)[nH]c2cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O/c1-28(2)21-14-19-18(25-22(26-19)12-15-6-4-3-5-7-15)13-20(21)27-23(29)16-8-10-17(24)11-9-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyVWAMDXDVNVCUGD-UHFFFAOYSA-N
XLogP4.61
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
CID 113092466
2-benzyl-N-[(Z)-(2-fluorophenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526607
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
N-[6-(diethylamino)-2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxybenzamide
CID 59530569
2-benzyl-N-[(Z)-(4-methylphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526687
2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526638
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
4-[benzyl(methyl)amino]-3-[(4-fluorobenzoyl)amino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146053571
4-tert-butyl-N-[6-(diethylamino)-2-phenyl-3H-benzimidazol-5-yl]benzamide
CID 68511451
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643

Frequently Asked Questions

What is the IUPAC name of N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide (CID 162649515) is N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide is CN(C)c1cc2nc(Cc3ccccc3)[nH]c2cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide?
The InChIKey is VWAMDXDVNVCUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-28(2)21-14-19-18(25-22(26-19)12-15-6-4-3-5-7-15)13-20(21)27-23(29)16-8-10-17(24)11-9-16/h3-11,13-14H,12H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide?
N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide has a molecular weight of 388.45 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzyl-6-(dimethylamino)-3H-benzimidazol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 162649515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).