4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide

C24H27BrFN3O — CID 18733119

IUPAC4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H27BrFN3O/c1-16(2)14-28(24(30)17-7-9-18(25)10-8-17)15-23-27-21-13-19(26)11-12-22(21)29(23)20-5-3-4-6-20/h7-13,16,20H,3-6,14-15H2,1-2H3
InChIKeyXQRAXMZCJHFMLB-UHFFFAOYSA-N
MW472.40 g/mol
LogP6.35
Rot. Bonds6

About 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide

4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 18733119) has the molecular formula C24H27BrFN3O and a molecular weight of 472.40 g/mol. Its IUPAC name is 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID18733119
Molecular FormulaC24H27BrFN3O
Molecular Weight472.40 g/mol
Exact Mass471.13
IUPAC Name4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C24H27BrFN3O/c1-16(2)14-28(24(30)17-7-9-18(25)10-8-17)15-23-27-21-13-19(26)11-12-22(21)29(23)20-5-3-4-6-20/h7-13,16,20H,3-6,14-15H2,1-2H3
InChIKeyXQRAXMZCJHFMLB-UHFFFAOYSA-N
XLogP6.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.40
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2,3,6-trifluoro-N-(2-methylpropyl)benzamide
CID 18733445
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732496
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
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
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
3-fluoro-N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 18733036
N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]benzamide;N-benzyl-3-fluoro-N-[(1-phenylbenzimidazol-2-yl)methyl]benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-iodo-N-(2-methylpropyl)benzamide;N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-3-iodo-N-pentylbenzamide
CID 158613202
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-ethylsulfanyl-N-(2-methylpropyl)benzamide
CID 18734099

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide (CID 18733119) is 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is XQRAXMZCJHFMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27BrFN3O/c1-16(2)14-28(24(30)17-7-9-18(25)10-8-17)15-23-27-21-13-19(26)11-12-22(21)29(23)20-5-3-4-6-20/h7-13,16,20H,3-6,14-15H2,1-2H3.
What are the key properties of 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide?
4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 472.40 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 18733119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).