3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C18H25N3O2 — CID 172968436

IUPAC3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1CCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)O1
InChIInChI=1S/C18H25N3O2/c1-13-6-7-15(23-13)12-20-10-8-14(9-11-20)21-17-5-3-2-4-16(17)19-18(21)22/h2-5,13-15H,6-12H2,1H3,(H,19,22)
InChIKeyGWBPZIJITWFFSW-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.53
Rot. Bonds3

About 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968436) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968436
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1CCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)O1
InChIInChI=1S/C18H25N3O2/c1-13-6-7-15(23-13)12-20-10-8-14(9-11-20)21-17-5-3-2-4-16(17)19-18(21)22/h2-5,13-15H,6-12H2,1H3,(H,19,22)
InChIKeyGWBPZIJITWFFSW-UHFFFAOYSA-N
XLogP2.53
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-(5-oxa-2-azaspiro[3.4]octan-6-ylmethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 131962405
3-[1-[[4-(4-fluorophenyl)oxolan-2-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 13151545
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968406
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile
CID 172967768
3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968593
N,N-dimethyl-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 51078345
3-[1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10476701

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968436) is 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC1CCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)O1.
What is the InChIKey of 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GWBPZIJITWFFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-6-7-15(23-13)12-20-10-8-14(9-11-20)21-17-5-3-2-4-16(17)19-18(21)22/h2-5,13-15H,6-12H2,1H3,(H,19,22).
What are the key properties of 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 315.42 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).