3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide

C22H24FN3O — CID 118760643

IUPAC3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H24FN3O/c23-17-7-5-6-16(14-17)22(12-3-4-13-22)15-24-21(27)11-10-20-25-18-8-1-2-9-19(18)26-20/h1-2,5-9,14H,3-4,10-13,15H2,(H,24,27)(H,25,26)
InChIKeyKEKKOFGBZAFTIQ-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.26
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide (PubChem CID 118760643) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
PubChem CID118760643
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCC1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C22H24FN3O/c23-17-7-5-6-16(14-17)22(12-3-4-13-22)15-24-21(27)11-10-20-25-18-8-1-2-9-19(18)26-20/h1-2,5-9,14H,3-4,10-13,15H2,(H,24,27)(H,25,26)
InChIKeyKEKKOFGBZAFTIQ-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 37316419
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3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
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3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 120611193
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
CID 27449333
3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
CID 130245379
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46968502
3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
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N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 91842555
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 46974939
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide (CID 118760643) is 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide is O=C(CCc1nc2ccccc2[nH]1)NCC1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide?
The InChIKey is KEKKOFGBZAFTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-17-7-5-6-16(14-17)22(12-3-4-13-22)15-24-21(27)11-10-20-25-18-8-1-2-9-19(18)26-20/h1-2,5-9,14H,3-4,10-13,15H2,(H,24,27)(H,25,26).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide has a molecular weight of 365.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 118760643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).