6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide

C22H18FN3O — CID 75404720

IUPAC6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C22H18FN3O/c1-26(22(27)19-11-18(23)12-20-21(19)25-14-24-20)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyGFUVJICEYRNVBH-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.64
Rot. Bonds4

About 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 75404720) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide
PubChem CID75404720
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C22H18FN3O/c1-26(22(27)19-11-18(23)12-20-21(19)25-14-24-20)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,25)
InChIKeyGFUVJICEYRNVBH-UHFFFAOYSA-N
XLogP4.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide (CID 75404720) is 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide is CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is GFUVJICEYRNVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-26(22(27)19-11-18(23)12-20-21(19)25-14-24-20)13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-12,14H,13H2,1H3,(H,24,25).
What are the key properties of 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 75404720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).