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

C24H26Cl2FN3O — CID 18732496

IUPAC2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H26Cl2FN3O/c1-15(2)13-29(24(31)19-11-16(25)7-9-20(19)26)14-23-28-21-12-17(27)8-10-22(21)30(23)18-5-3-4-6-18/h7-12,15,18H,3-6,13-14H2,1-2H3
InChIKeyIVYIVZPDOBPYFI-UHFFFAOYSA-N
MW462.40 g/mol
LogP6.90
Rot. Bonds6

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

2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 18732496) has the molecular formula C24H26Cl2FN3O and a molecular weight of 462.40 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID18732496
Molecular FormulaC24H26Cl2FN3O
Molecular Weight462.40 g/mol
Exact Mass461.14
IUPAC Name2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C24H26Cl2FN3O/c1-15(2)13-29(24(31)19-11-16(25)7-9-20(19)26)14-23-28-21-12-17(27)8-10-22(21)30(23)18-5-3-4-6-18/h7-12,15,18H,3-6,13-14H2,1-2H3
InChIKeyIVYIVZPDOBPYFI-UHFFFAOYSA-N
XLogP6.90
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.40
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
CID 18733445
4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18733119
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
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197
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-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
5-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733226
4-chloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733151

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide (CID 18732496) is 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is IVYIVZPDOBPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN3O/c1-15(2)13-29(24(31)19-11-16(25)7-9-20(19)26)14-23-28-21-12-17(27)8-10-22(21)30(23)18-5-3-4-6-18/h7-12,15,18H,3-6,13-14H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 462.40 g/mol, XLogP of 6.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18732496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).