2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide

C21H21F3N4O — CID 146318333

IUPAC2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESCC1CC(n2cnc3cc(F)c(F)cc32)CC1C(C)C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C21H21F3N4O/c1-11-5-14(28-10-26-18-7-16(23)17(24)8-19(18)28)6-15(11)12(2)21(29)27-20-4-3-13(22)9-25-20/h3-4,7-12,14-15H,5-6H2,1-2H3,(H,25,27,29)
InChIKeyOJOYTXZNONKLRP-UHFFFAOYSA-N
MW402.42 g/mol
LogP4.71
Rot. Bonds4

About 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide

2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide (PubChem CID 146318333) has the molecular formula C21H21F3N4O and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide
PubChem CID146318333
Molecular FormulaC21H21F3N4O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC Name2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide
SMILESCC1CC(n2cnc3cc(F)c(F)cc32)CC1C(C)C(=O)Nc1ccc(F)cn1
InChIInChI=1S/C21H21F3N4O/c1-11-5-14(28-10-26-18-7-16(23)17(24)8-19(18)28)6-15(11)12(2)21(29)27-20-4-3-13(22)9-25-20/h3-4,7-12,14-15H,5-6H2,1-2H3,(H,25,27,29)
InChIKeyOJOYTXZNONKLRP-UHFFFAOYSA-N
XLogP4.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]propanoate
CID 146318411
(2S)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(1-methylpyrazol-4-yl)phenyl]propanamide
CID 146318529
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318387
2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 153395535
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-methyl-6-bicyclo[3.1.0]hexanyl]-N-(3-fluoro-1-bicyclo[1.1.1]pentanyl)propanamide
CID 153395492
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-(4-fluorobut-1-en-2-yl)propanamide
CID 156541898
2-[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]-N-[4-(1-hydroxyethyl)-2-bicyclo[2.2.0]hexanyl]propanamide
CID 156541888
3-amino-N-(5-fluoro-2-pyridinyl)-2-methylbutanamide;dihydrochloride
CID 120502701
N-[[(1S,5R)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]methyl]-6-methoxypyridine-3-carboxamide
CID 153288837
4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 141326357
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide?
The IUPAC name of 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide (CID 146318333) is 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide is CC1CC(n2cnc3cc(F)c(F)cc32)CC1C(C)C(=O)Nc1ccc(F)cn1.
What is the InChIKey of 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide?
The InChIKey is OJOYTXZNONKLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O/c1-11-5-14(28-10-26-18-7-16(23)17(24)8-19(18)28)6-15(11)12(2)21(29)27-20-4-3-13(22)9-25-20/h3-4,7-12,14-15H,5-6H2,1-2H3,(H,25,27,29).
What are the key properties of 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide?
2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide has a molecular weight of 402.42 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,6-difluorobenzimidazol-1-yl)-2-methylcyclopentyl]-N-(5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 146318333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).