4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one

C14H19N3O2 — CID 117208678

IUPAC4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCN1CCC(Cn2c(=O)[nH]c3cccc(O)c32)CC1
InChIInChI=1S/C14H19N3O2/c1-16-7-5-10(6-8-16)9-17-13-11(15-14(17)19)3-2-4-12(13)18/h2-4,10,18H,5-9H2,1H3,(H,15,19)
InChIKeyKJJQBVYYMRFEKM-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.38
Rot. Bonds2

About 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one

4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208678) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117208678
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCN1CCC(Cn2c(=O)[nH]c3cccc(O)c32)CC1
InChIInChI=1S/C14H19N3O2/c1-16-7-5-10(6-8-16)9-17-13-11(15-14(17)19)3-2-4-12(13)18/h2-4,10,18H,5-9H2,1H3,(H,15,19)
InChIKeyKJJQBVYYMRFEKM-UHFFFAOYSA-N
XLogP1.38
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117209301
3-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208607
4-hydroxy-3-(thian-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208927
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
CID 84796016
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazole-2-thione
CID 115551819
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
4-hydroxy-3-(1-methylpiperidin-3-yl)-1H-benzimidazol-2-one
CID 117208718
3-[(1-methylpiperidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208899
4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (CID 117208678) is 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is CN1CCC(Cn2c(=O)[nH]c3cccc(O)c32)CC1.
What is the InChIKey of 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is KJJQBVYYMRFEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-7-5-10(6-8-16)9-17-13-11(15-14(17)19)3-2-4-12(13)18/h2-4,10,18H,5-9H2,1H3,(H,15,19).
What are the key properties of 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).