N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide

C21H22ClF2N3O — CID 22270262

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide
SMILESCCCC(=O)N(Cc1nc2ccc(Cl)cc2n1CCC)c1cc(F)ccc1F
InChIInChI=1S/C21H22ClF2N3O/c1-3-5-21(28)27(18-12-15(23)7-8-16(18)24)13-20-25-17-9-6-14(22)11-19(17)26(20)10-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3
InChIKeyOIGUZNFVQHTMAU-UHFFFAOYSA-N
MW405.88 g/mol
LogP5.71
Rot. Bonds7

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide (PubChem CID 22270262) has the molecular formula C21H22ClF2N3O and a molecular weight of 405.88 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide
PubChem CID22270262
Molecular FormulaC21H22ClF2N3O
Molecular Weight405.88 g/mol
Exact Mass405.14
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide
SMILESCCCC(=O)N(Cc1nc2ccc(Cl)cc2n1CCC)c1cc(F)ccc1F
InChIInChI=1S/C21H22ClF2N3O/c1-3-5-21(28)27(18-12-15(23)7-8-16(18)24)13-20-25-17-9-6-14(22)11-19(17)26(20)10-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3
InChIKeyOIGUZNFVQHTMAU-UHFFFAOYSA-N
XLogP5.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.88
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2,3,6-trifluorobenzamide
CID 18734522
2-(chloromethyl)-6-fluoro-1-propylbenzimidazole
CID 62378241
2,5-difluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732577
N-butyl-N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734526
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 18733917
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]benzamide
CID 18734535
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
CID 18733942
2,3,6-trifluoro-N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)benzamide
CID 18732433

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide (CID 22270262) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide is CCCC(=O)N(Cc1nc2ccc(Cl)cc2n1CCC)c1cc(F)ccc1F.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide?
The InChIKey is OIGUZNFVQHTMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF2N3O/c1-3-5-21(28)27(18-12-15(23)7-8-16(18)24)13-20-25-17-9-6-14(22)11-19(17)26(20)10-4-2/h6-9,11-12H,3-5,10,13H2,1-2H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide has a molecular weight of 405.88 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2,5-difluorophenyl)butanamide is sourced from PubChem (CID 22270262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).