N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide

C24H25F4N3O — CID 18733445

IUPACN-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F
InChIInChI=1S/C24H25F4N3O/c1-14(2)12-30(24(32)22-17(26)8-9-18(27)23(22)28)13-21-29-19-11-15(25)7-10-20(19)31(21)16-5-3-4-6-16/h7-11,14,16H,3-6,12-13H2,1-2H3
InChIKeyIQVMNGULWMOGGD-UHFFFAOYSA-N
MW447.48 g/mol
LogP6.01
Rot. Bonds6

About N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide

N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide (PubChem CID 18733445) has the molecular formula C24H25F4N3O and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
PubChem CID18733445
Molecular FormulaC24H25F4N3O
Molecular Weight447.48 g/mol
Exact Mass447.19
IUPAC NameN-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F
InChIInChI=1S/C24H25F4N3O/c1-14(2)12-30(24(32)22-17(26)8-9-18(27)23(22)28)13-21-29-19-11-15(25)7-10-20(19)31(21)16-5-3-4-6-16/h7-11,14,16H,3-6,12-13H2,1-2H3
InChIKeyIQVMNGULWMOGGD-UHFFFAOYSA-N
XLogP6.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.48
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide 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

2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732496
4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18733119
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433
3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-(2-methylpropyl)benzamide;3-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-fluoro-N-pentylbenzamide;N-butyl-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodobenzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(2-methylpropyl)benzamide
CID 159135995
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-5-fluoro-2-methyl-N-(2-methylpropyl)benzamide
CID 18734109
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,4,6-trifluoro-N-(3-methylbutyl)benzamide
CID 18734064
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide (CID 18733445) is N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F.
What is the InChIKey of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
The InChIKey is IQVMNGULWMOGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N3O/c1-14(2)12-30(24(32)22-17(26)8-9-18(27)23(22)28)13-21-29-19-11-15(25)7-10-20(19)31(21)16-5-3-4-6-16/h7-11,14,16H,3-6,12-13H2,1-2H3.
What are the key properties of N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide has a molecular weight of 447.48 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).