N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide

C18H22FN3O — CID 139304056

IUPACN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide
SMILESCc1ccc2nc(NC(=O)CC3CC(F)C3)n(C3CCC3)c2c1
InChIInChI=1S/C18H22FN3O/c1-11-5-6-15-16(7-11)22(14-3-2-4-14)18(20-15)21-17(23)10-12-8-13(19)9-12/h5-7,12-14H,2-4,8-10H2,1H3,(H,20,21,23)
InChIKeyCGENMEZVYULECX-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.15
Rot. Bonds4

About N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide (PubChem CID 139304056) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide
PubChem CID139304056
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide
SMILESCc1ccc2nc(NC(=O)CC3CC(F)C3)n(C3CCC3)c2c1
InChIInChI=1S/C18H22FN3O/c1-11-5-6-15-16(7-11)22(14-3-2-4-14)18(20-15)21-17(23)10-12-8-13(19)9-12/h5-7,12-14H,2-4,8-10H2,1H3,(H,20,21,23)
InChIKeyCGENMEZVYULECX-UHFFFAOYSA-N
XLogP4.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118941483
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide
CID 118941503
(1S)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 118941523
N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2-cyclopentylacetamide
CID 118697273
(1-cyclopropyl-6-methylbenzimidazol-2-yl)hydrazine
CID 115059619
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2-[(2S)-6,6-dimethyloxan-2-yl]acetamide
CID 118938346
cis-(1S,2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 170061696
N-(6-cyano-1-cyclobutylbenzimidazol-2-yl)-3,3-dimethylbutanamide
CID 118938285
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-2,2-dimethylpropanamide
CID 118938286
3-cyclobutyl-N-(1-cyclobutyl-6-isocyanobenzimidazol-2-yl)-3-hydroxybutanamide
CID 140706446
N-[1-cyclobutyl-6-(3-fluorooxetan-3-yl)benzimidazol-2-yl]-3,3-dimethylbutanamide
CID 139487147
(2S)-N-[1-cyclobutyl-6-(trifluoromethyl)benzimidazol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 118938264

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide?
The IUPAC name of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide (CID 139304056) is N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide.
What is the SMILES notation for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide?
The canonical SMILES for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide is Cc1ccc2nc(NC(=O)CC3CC(F)C3)n(C3CCC3)c2c1.
What is the InChIKey of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide?
The InChIKey is CGENMEZVYULECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-5-6-15-16(7-11)22(14-3-2-4-14)18(20-15)21-17(23)10-12-8-13(19)9-12/h5-7,12-14H,2-4,8-10H2,1H3,(H,20,21,23).
What are the key properties of N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide?
N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide has a molecular weight of 315.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(3-fluorocyclobutyl)acetamide is sourced from PubChem (CID 139304056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).