N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide

C30H28FN3O2 — CID 134127066

IUPACN-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1ccccc1F
InChIInChI=1S/C30H28FN3O2/c1-2-3-16-32-30(35)23-13-15-28-27(18-23)33-29(34(28)19-24-10-6-7-11-26(24)31)20-36-25-14-12-21-8-4-5-9-22(21)17-25/h4-15,17-18H,2-3,16,19-20H2,1H3,(H,32,35)
InChIKeyIYSWWNMCPHLHIN-UHFFFAOYSA-N
MW481.57 g/mol
LogP6.49
Rot. Bonds9

About N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide

N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide (PubChem CID 134127066) has the molecular formula C30H28FN3O2 and a molecular weight of 481.57 g/mol. Its IUPAC name is N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
PubChem CID134127066
Molecular FormulaC30H28FN3O2
Molecular Weight481.57 g/mol
Exact Mass481.22
IUPAC NameN-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide
SMILESCCCCNC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1ccccc1F
InChIInChI=1S/C30H28FN3O2/c1-2-3-16-32-30(35)23-13-15-28-27(18-23)33-29(34(28)19-24-10-6-7-11-26(24)31)20-36-25-14-12-21-8-4-5-9-22(21)17-25/h4-15,17-18H,2-3,16,19-20H2,1H3,(H,32,35)
InChIKeyIYSWWNMCPHLHIN-UHFFFAOYSA-N
XLogP6.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127033
1-[(3-chlorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 134126984
1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-2-(phenoxymethyl)benzimidazole-5-carboxamide
CID 134127046
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 134127025
[5-ethoxy-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82334694
4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130
N-(2-hydroxyethyl)-2-(phenoxymethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
CID 134127039
2-(naphthalen-2-yloxymethyl)-1-undecylbenzimidazole
CID 4238705
1-hexyl-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 4631814
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-pentylnaphthalene-2-carboxamide
CID 91722098
2-[(4-tert-butylphenoxy)methyl]-1-[(2-fluorophenyl)methyl]benzimidazole
CID 16998729

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide (CID 134127066) is N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide is CCCCNC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2Cc1ccccc1F.
What is the InChIKey of N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide?
The InChIKey is IYSWWNMCPHLHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN3O2/c1-2-3-16-32-30(35)23-13-15-28-27(18-23)33-29(34(28)19-24-10-6-7-11-26(24)31)20-36-25-14-12-21-8-4-5-9-22(21)17-25/h4-15,17-18H,2-3,16,19-20H2,1H3,(H,32,35).
What are the key properties of N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide?
N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide has a molecular weight of 481.57 g/mol, XLogP of 6.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[(2-fluorophenyl)methyl]-2-(naphthalen-2-yloxymethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 134127066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).