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

C20H20BrClFN3O — CID 18732823

IUPAC3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C20H20BrClFN3O/c1-3-9-25(20(27)13-5-7-16(23)15(21)10-13)12-19-24-17-8-6-14(22)11-18(17)26(19)4-2/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyRSFDBMGWBWZZTB-UHFFFAOYSA-N
MW452.76 g/mol
LogP5.66
Rot. Bonds6

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

3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide (PubChem CID 18732823) has the molecular formula C20H20BrClFN3O and a molecular weight of 452.76 g/mol. Its IUPAC name is 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
PubChem CID18732823
Molecular FormulaC20H20BrClFN3O
Molecular Weight452.76 g/mol
Exact Mass451.05
IUPAC Name3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
SMILESCCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C20H20BrClFN3O/c1-3-9-25(20(27)13-5-7-16(23)15(21)10-13)12-19-24-17-8-6-14(22)11-18(17)26(19)4-2/h5-8,10-11H,3-4,9,12H2,1-2H3
InChIKeyRSFDBMGWBWZZTB-UHFFFAOYSA-N
XLogP5.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.76
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-iodo-4-methyl-N-propylbenzamide
CID 18733832
3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
3-bromo-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732827
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-3-fluoro-N-(2-methylpropyl)benzamide
CID 18733828
N-[[6-chloro-1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methoxy-N-propylbenzamide
CID 18733799
N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 18733836
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
3-bromo-4-fluoro-N-(3-methylbutyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18732767
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
The IUPAC name of 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide (CID 18732823) is 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide.
What is the SMILES notation for 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
The canonical SMILES for 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide is CCCN(Cc1nc2ccc(Cl)cc2n1CC)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
The InChIKey is RSFDBMGWBWZZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClFN3O/c1-3-9-25(20(27)13-5-7-16(23)15(21)10-13)12-19-24-17-8-6-14(22)11-18(17)26(19)4-2/h5-8,10-11H,3-4,9,12H2,1-2H3.
What are the key properties of 3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide?
3-bromo-N-[(6-chloro-1-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide has a molecular weight of 452.76 g/mol, XLogP of 5.66, 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-ethylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide is sourced from PubChem (CID 18732823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).