N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide

C24H30FN3O — CID 18734004

IUPACN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccc(C)c1
InChIInChI=1S/C24H30FN3O/c1-4-6-7-14-27(24(29)19-10-8-9-18(3)15-19)17-23-26-21-12-11-20(25)16-22(21)28(23)13-5-2/h8-12,15-16H,4-7,13-14,17H2,1-3H3
InChIKeyRLHQOYYKSKWMNC-UHFFFAOYSA-N
MW395.52 g/mol
LogP5.73
Rot. Bonds9

About N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide (PubChem CID 18734004) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
PubChem CID18734004
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC NameN-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide
SMILESCCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccc(C)c1
InChIInChI=1S/C24H30FN3O/c1-4-6-7-14-27(24(29)19-10-8-9-18(3)15-19)17-23-26-21-12-11-20(25)16-22(21)28(23)13-5-2/h8-12,15-16H,4-7,13-14,17H2,1-3H3
InChIKeyRLHQOYYKSKWMNC-UHFFFAOYSA-N
XLogP5.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.52
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732852
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-butyl-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 18734542
3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(3-methylbutyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide;3-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide;4-fluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 159808543
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-[[5-[[butyl(methyl)amino]methyl]-1-propylbenzimidazol-2-yl]methyl]-3-fluoro-N-propylbenzamide
CID 18733631
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
3-methyl-N,N-di(undecyl)benzamide
CID 533252
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)thiophene-3-carboxamide
CID 18734022

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide?
The IUPAC name of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide (CID 18734004) is N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide.
What is the SMILES notation for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide?
The canonical SMILES for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide is CCCCCN(Cc1nc2ccc(F)cc2n1CCC)C(=O)c1cccc(C)c1.
What is the InChIKey of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide?
The InChIKey is RLHQOYYKSKWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-4-6-7-14-27(24(29)19-10-8-9-18(3)15-19)17-23-26-21-12-11-20(25)16-22(21)28(23)13-5-2/h8-12,15-16H,4-7,13-14,17H2,1-3H3.
What are the key properties of N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide?
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide has a molecular weight of 395.52 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-3-methyl-N-pentylbenzamide is sourced from PubChem (CID 18734004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).