3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide

C23H24BrClFN3O — CID 18732808

IUPAC3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C23H24BrClFN3O/c1-2-11-28(23(30)15-7-9-19(26)18(24)12-15)14-22-27-20-10-8-16(25)13-21(20)29(22)17-5-3-4-6-17/h7-10,12-13,17H,2-6,11,14H2,1H3
InChIKeyFWGAOBFMZMTPKE-UHFFFAOYSA-N
MW492.82 g/mol
LogP6.76
Rot. Bonds6

About 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide

3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide (PubChem CID 18732808) has the molecular formula C23H24BrClFN3O and a molecular weight of 492.82 g/mol. Its IUPAC name is 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
PubChem CID18732808
Molecular FormulaC23H24BrClFN3O
Molecular Weight492.82 g/mol
Exact Mass491.08
IUPAC Name3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C23H24BrClFN3O/c1-2-11-28(23(30)15-7-9-19(26)18(24)12-15)14-22-27-20-10-8-16(25)13-21(20)29(22)17-5-3-4-6-17/h7-10,12-13,17H,2-6,11,14H2,1H3
InChIKeyFWGAOBFMZMTPKE-UHFFFAOYSA-N
XLogP6.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.82
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732823
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
CID 18733466
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761
3-bromo-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732827
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732857
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
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-prop-2-enylbenzamide;3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-methyl-N-propylbenzamide;N-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]-2,5-difluoro-N-methylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,6-difluoro-N-propylbenzamide;N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide;2,5-dichloro-N-[(5-chloro-1-propylbenzimidazol-2-yl)methyl]-N-methylbenzamide
CID 160910146
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
CID 18733799
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
The IUPAC name of 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide (CID 18732808) is 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide is CCCN(Cc1nc2ccc(Cl)cc2n1C1CCCC1)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
The InChIKey is FWGAOBFMZMTPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24BrClFN3O/c1-2-11-28(23(30)15-7-9-19(26)18(24)12-15)14-22-27-20-10-8-16(25)13-21(20)29(22)17-5-3-4-6-17/h7-10,12-13,17H,2-6,11,14H2,1H3.
What are the key properties of 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide has a molecular weight of 492.82 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 18732808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).