N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide

C22H25ClFN3O — CID 18734526

IUPACN-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1F
InChIInChI=1S/C22H25ClFN3O/c1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyKIYKEMIDYNCHJT-UHFFFAOYSA-N
MW401.91 g/mol
LogP5.68
Rot. Bonds8

About N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide

N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide (PubChem CID 18734526) has the molecular formula C22H25ClFN3O and a molecular weight of 401.91 g/mol. Its IUPAC name is N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
PubChem CID18734526
Molecular FormulaC22H25ClFN3O
Molecular Weight401.91 g/mol
Exact Mass401.17
IUPAC NameN-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
SMILESCCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1F
InChIInChI=1S/C22H25ClFN3O/c1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyKIYKEMIDYNCHJT-UHFFFAOYSA-N
XLogP5.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.91
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734409
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734535
N-butyl-5-chloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-hydroxybenzamide
CID 18734468
2,5-dichloro-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732526
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-[(1-butylbenzimidazol-2-yl)methyl]-2-fluoro-N-pentylbenzamide
CID 18733345
N-butyl-2-chloro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734407
N-butyl-N-[(1-butylbenzimidazol-2-yl)methyl]-2,5-dichlorobenzamide
CID 18734478
N-[(1-butylbenzimidazol-2-yl)methyl]-2-chloro-N-pentylbenzamide
CID 18733339
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-5-methyl-N-propylthiophene-2-carboxamide
CID 18733957

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
The IUPAC name of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide (CID 18734526) is N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide.
What is the SMILES notation for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
The canonical SMILES for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide is CCCCN(Cc1nc2ccc(Cl)cc2n1CCC)C(=O)c1ccccc1F.
What is the InChIKey of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
The InChIKey is KIYKEMIDYNCHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O/c1-3-5-13-26(22(28)17-8-6-7-9-18(17)24)15-21-25-19-11-10-16(23)14-20(19)27(21)12-4-2/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide?
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide has a molecular weight of 401.91 g/mol, XLogP of 5.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide is sourced from PubChem (CID 18734526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).