3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide

C15H18FN3O2 — CID 111825380

IUPAC3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCc1nc2c(F)cccc2[nH]1)NCC1(O)CCC1
InChIInChI=1S/C15H18FN3O2/c16-10-3-1-4-11-14(10)19-12(18-11)5-6-13(20)17-9-15(21)7-2-8-15/h1,3-4,21H,2,5-9H2,(H,17,20)(H,18,19)
InChIKeyJLECILJBDDLRIR-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.67
Rot. Bonds5

About 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide

3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide (PubChem CID 111825380) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
PubChem CID111825380
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
SMILESO=C(CCc1nc2c(F)cccc2[nH]1)NCC1(O)CCC1
InChIInChI=1S/C15H18FN3O2/c16-10-3-1-4-11-14(10)19-12(18-11)5-6-13(20)17-9-15(21)7-2-8-15/h1,3-4,21H,2,5-9H2,(H,17,20)(H,18,19)
InChIKeyJLECILJBDDLRIR-UHFFFAOYSA-N
XLogP1.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-[[(4R)-4-hydroxyazepan-4-yl]methyl]propanamide
CID 95706979
3-(2,3-difluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446162
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(2-hydroxy-2,5-dimethylhexyl)propanamide
CID 111825763
3-(4-fluoro-1H-benzimidazol-2-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
CID 110002444
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643
3-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 64867195
3-(6-chloro-1H-benzimidazol-2-yl)-N-[[1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]propanamide
CID 155989841
3-(4-fluoro-1H-benzimidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 60837837
N-[(1-hydroxycyclopentyl)methyl]-6-thiophen-2-ylhexanamide
CID 111333038
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 136935048

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The IUPAC name of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide (CID 111825380) is 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The canonical SMILES for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide is O=C(CCc1nc2c(F)cccc2[nH]1)NCC1(O)CCC1.
What is the InChIKey of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
The InChIKey is JLECILJBDDLRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-10-3-1-4-11-14(10)19-12(18-11)5-6-13(20)17-9-15(21)7-2-8-15/h1,3-4,21H,2,5-9H2,(H,17,20)(H,18,19).
What are the key properties of 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide?
3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide has a molecular weight of 291.33 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-benzimidazol-2-yl)-N-[(1-hydroxycyclobutyl)methyl]propanamide is sourced from PubChem (CID 111825380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).