N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide

C21H28FN3O2 — CID 118941504

IUPACN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide
SMILESCC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1
InChIInChI=1S/C21H28FN3O2/c1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13/h7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26)
InChIKeyYITIYOBQGJUGSP-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.46
Rot. Bonds4

About N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide

N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide (PubChem CID 118941504) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide
PubChem CID118941504
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide
SMILESCC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1
InChIInChI=1S/C21H28FN3O2/c1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13/h7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26)
InChIKeyYITIYOBQGJUGSP-UHFFFAOYSA-N
XLogP4.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(hydroxymethyl)-1-[4-(hydroxymethyl)cyclohexyl]benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 10114595
3-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-N-methylpropanamide
CID 118519260
1-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol
CID 126726361
2-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoroacetamide
CID 126726526
2-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]acetamide
CID 126726535
2-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]-2,2-difluoro-N-methylacetamide
CID 126729829
N-((1s,4s)-4-(1H-benzo[d]imidazol-5-yl)-4-hydroxycyclohexyl)-3-phenylpropanamide
CID 44433725
1-[3-Ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclobutan-1-ol
CID 126726363
US10414734, Example 2-14
CID 135221584
2-[[2-(4-Fluorophenyl)acetyl]amino]-3-propylbenzimidazole-5-carboxylic acid
CID 172445492
N-[1-cyclobutyl-4-fluoro-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-5,5,5-trifluoro-3,3-dimethylpentanamide
CID 129075704
(3R)-N-(1-tert-butyl-6-cyano-4-fluorobenzimidazol-2-yl)-3-hydroxy-3-phenylbutanamide
CID 129075727

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide (CID 118941504) is N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide is CC1(F)CCC(C(=O)Nc2nc3ccc(C(C)(C)O)cc3n2C2CCC2)C1.
What is the InChIKey of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide?
The InChIKey is YITIYOBQGJUGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-20(2,27)14-7-8-16-17(11-14)25(15-5-4-6-15)19(23-16)24-18(26)13-9-10-21(3,22)12-13/h7-8,11,13,15,27H,4-6,9-10,12H2,1-3H3,(H,23,24,26).
What are the key properties of N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide?
N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-6-(2-hydroxypropan-2-yl)benzimidazol-2-yl]-3-fluoro-3-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 118941504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).