N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide

C29H24FN3O2 — CID 49866076

IUPACN-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCOC1=CC=CC=C1C2=CC=CC(=C2)CN3C=NC4=C3C=C(C=C4)C(=O)NCC5=CC(=CC=C5)F
InChIInChI=1S/C29H24FN3O2/c1-35-28-11-3-2-10-25(28)22-8-4-7-21(14-22)18-33-19-32-26-13-12-23(16-27(26)33)29(34)31-17-20-6-5-9-24(30)15-20/h2-16,19H,17-18H2,1H3,(H,31,34)
InChIKeyJOZITCZSNKWWPP-UHFFFAOYSA-N
MW465.50 g/mol
LogP5.50
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide

N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 49866076) has the molecular formula C29H24FN3O2 and a molecular weight of 465.50 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID49866076
Molecular FormulaC29H24FN3O2
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCOC1=CC=CC=C1C2=CC=CC(=C2)CN3C=NC4=C3C=C(C=C4)C(=O)NCC5=CC(=CC=C5)F
InChIInChI=1S/C29H24FN3O2/c1-35-28-11-3-2-10-25(28)22-8-4-7-21(14-22)18-33-19-32-26-13-12-23(16-27(26)33)29(34)31-17-20-6-5-9-24(30)15-20/h2-16,19H,17-18H2,1H3,(H,31,34)
InChIKeyJOZITCZSNKWWPP-UHFFFAOYSA-N
XLogP5.50
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity693

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2226166
CID 2226166
CID 16279719
CID 16279719
CID 3474778
CID 3474778
CID 23673318
CID 23673318
CID 25165666
CID 25165666
CID 135930669
CID 135930669
CID 139593670
CID 139593670
CID 25164463
CID 25164463
CID 25164869
CID 25164869

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide (CID 49866076) is N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide is COC1=CC=CC=C1C2=CC=CC(=C2)CN3C=NC4=C3C=C(C=C4)C(=O)NCC5=CC(=CC=C5)F.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is JOZITCZSNKWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O2/c1-35-28-11-3-2-10-25(28)22-8-4-7-21(14-22)18-33-19-32-26-13-12-23(16-27(26)33)29(34)31-17-20-6-5-9-24(30)15-20/h2-16,19H,17-18H2,1H3,(H,31,34).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 465.50 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[[3-(2-methoxyphenyl)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 49866076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).