N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide

C24H25ClF3N3O — CID 18733709

IUPACN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F
InChIInChI=1S/C24H25ClF3N3O/c1-14(2)12-30(24(32)22-17(26)8-9-18(27)23(22)28)13-21-29-19-10-7-15(25)11-20(19)31(21)16-5-3-4-6-16/h7-11,14,16H,3-6,12-13H2,1-2H3
InChIKeyOMJSEAQFGBOTJC-UHFFFAOYSA-N
MW463.93 g/mol
LogP6.52
Rot. Bonds6

About N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide

N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide (PubChem CID 18733709) has the molecular formula C24H25ClF3N3O and a molecular weight of 463.93 g/mol. Its IUPAC name is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
PubChem CID18733709
Molecular FormulaC24H25ClF3N3O
Molecular Weight463.93 g/mol
Exact Mass463.16
IUPAC NameN-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F
InChIInChI=1S/C24H25ClF3N3O/c1-14(2)12-30(24(32)22-17(26)8-9-18(27)23(22)28)13-21-29-19-10-7-15(25)11-20(19)31(21)16-5-3-4-6-16/h7-11,14,16H,3-6,12-13H2,1-2H3
InChIKeyOMJSEAQFGBOTJC-UHFFFAOYSA-N
XLogP6.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5,6-Dichloro-1-methylbenzimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 11847172
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-Phenylacetamide
CID 126962409
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-(2-Fluorophenyl)acetamide
CID 126962412
2-(5-Chloro-1-propan-2-ylbenzimidazol-2-yl)sulfanyl-1-phenylethanone
CID 2810810
4-chloro-N-[1-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]ethyl]benzamide
CID 164615918
(4-Chlorophenyl)-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)methanone
CID 827837
4-chloro-N-(1,2-dimethyl-5-benzimidazolyl)benzamide
CID 949216
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(3-chlorophenyl)methanone
CID 1430052
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]-4-chlorobenzamide
CID 3159382
N-{2-[2-(acetylamino)ethyl]-1-methyl-1H-benzimidazol-5-yl}-2-chlorobenzamide
CID 4886625
4-chloro-N-{1-[2-(dimethylamino)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 765689
N-{2-[1-(2-chlorobenzyl)-1H-benzimidazol-2-yl]ethyl}-3-methylbenzamide
CID 1293046

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide (CID 18733709) is N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1c(F)ccc(F)c1F.
What is the InChIKey of N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
The InChIKey is OMJSEAQFGBOTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF3N3O/c1-14(2)12-30(24(32)22-17(26)8-9-18(27)23(22)28)13-21-29-19-10-7-15(25)11-20(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-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide?
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide has a molecular weight of 463.93 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).