N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide

C23H25F2N3O — CID 18733466

IUPACN-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H25F2N3O/c1-2-13-27(23(29)16-11-12-18(24)19(25)14-16)15-22-26-20-9-5-6-10-21(20)28(22)17-7-3-4-8-17/h5-6,9-12,14,17H,2-4,7-8,13,15H2,1H3
InChIKeyZNFGWTYOJQHGLL-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.48
Rot. Bonds6

About N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide

N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide (PubChem CID 18733466) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide.

Molecular Properties

Compound NameN-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
PubChem CID18733466
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC NameN-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide
SMILESCCCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C23H25F2N3O/c1-2-13-27(23(29)16-11-12-18(24)19(25)14-16)15-22-26-20-9-5-6-10-21(20)28(22)17-7-3-4-8-17/h5-6,9-12,14,17H,2-4,7-8,13,15H2,1H3
InChIKeyZNFGWTYOJQHGLL-UHFFFAOYSA-N
XLogP5.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-4-fluoro-N-propylbenzamide
CID 18732808
N-butyl-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-fluorobenzamide
CID 18734496
3-fluoro-4-methyl-N-[(1-phenylbenzimidazol-2-yl)methyl]-N-propylbenzamide
CID 18733019
N-butyl-3,4-difluoro-N-[[1-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzimidazol-2-yl]methyl]benzamide
CID 20800941
N-benzyl-3,4-difluoro-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 18734329
5-chloro-N-[(1-cyclohexylbenzimidazol-2-yl)methyl]-2-methoxy-N-(3-methylbutyl)benzamide
CID 18733197
3-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732857
2,5-dichloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-N-pentylbenzamide
CID 18732498
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-iodo-N-(3-methylbutyl)benzamide
CID 18733730
N-butyl-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 18734574
N-[(6-chloro-1-cyclopentylbenzimidazol-2-yl)methyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 18733761
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide?
The IUPAC name of N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide (CID 18733466) is N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide.
What is the SMILES notation for N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide?
The canonical SMILES for N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide is CCCN(Cc1nc2ccccc2n1C1CCCC1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide?
The InChIKey is ZNFGWTYOJQHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O/c1-2-13-27(23(29)16-11-12-18(24)19(25)14-16)15-22-26-20-9-5-6-10-21(20)28(22)17-7-3-4-8-17/h5-6,9-12,14,17H,2-4,7-8,13,15H2,1H3.
What are the key properties of N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide?
N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide has a molecular weight of 397.47 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylbenzimidazol-2-yl)methyl]-3,4-difluoro-N-propylbenzamide is sourced from PubChem (CID 18733466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).