2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one

C14H16N2O — CID 79750868

IUPAC2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one
SMILESCn1c(CC2CCCC2=O)nc2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-12-7-3-2-6-11(12)15-14(16)9-10-5-4-8-13(10)17/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyHKNZNJYTWSUWFN-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.48
Rot. Bonds2

About 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one

2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one (PubChem CID 79750868) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one
PubChem CID79750868
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one
SMILESCn1c(CC2CCCC2=O)nc2ccccc21
InChIInChI=1S/C14H16N2O/c1-16-12-7-3-2-6-11(12)15-14(16)9-10-5-4-8-13(10)17/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyHKNZNJYTWSUWFN-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
1-methyl-2-(piperidin-4-ylmethyl)benzimidazole;hydrochloride
CID 171779762
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79750960
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 119908763
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one (CID 79750868) is 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one is Cn1c(CC2CCCC2=O)nc2ccccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one?
The InChIKey is HKNZNJYTWSUWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-12-7-3-2-6-11(12)15-14(16)9-10-5-4-8-13(10)17/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one?
2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylbenzimidazol-2-yl)methyl]cyclopentan-1-one is sourced from PubChem (CID 79750868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).