4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one

C12H15N3O2 — CID 84796016

IUPAC4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1CC1CCCN1
InChIInChI=1S/C12H15N3O2/c16-10-5-1-4-9-11(10)15(12(17)14-9)7-8-3-2-6-13-8/h1,4-5,8,13,16H,2-3,6-7H2,(H,14,17)
InChIKeyUAWCOZWAGUTIKK-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.79
Rot. Bonds2

About 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one

4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 84796016) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
PubChem CID84796016
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cccc(O)c2n1CC1CCCN1
InChIInChI=1S/C12H15N3O2/c16-10-5-1-4-9-11(10)15(12(17)14-9)7-8-3-2-6-13-8/h1,4-5,8,13,16H,2-3,6-7H2,(H,14,17)
InChIKeyUAWCOZWAGUTIKK-UHFFFAOYSA-N
XLogP0.79
TPSA70.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(pyrrolidin-2-ylmethyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208817
4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
4-hydroxy-3-(thian-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208927
3-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262139
3-(pyrrolidin-2-ylmethyl)-7-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262841
1-[[(2S)-pyrrolidin-2-yl]methyl]quinolin-2-one
CID 102819783
7-hydroxy-1-(pyrrolidin-2-ylmethyl)-3H-indol-2-one
CID 105490958
4-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117209301
3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
CID 106937791
5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
5-hydroxy-3-(pyrrolidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262188

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one (CID 84796016) is 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cccc(O)c2n1CC1CCCN1.
What is the InChIKey of 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is UAWCOZWAGUTIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-10-5-1-4-9-11(10)15(12(17)14-9)7-8-3-2-6-13-8/h1,4-5,8,13,16H,2-3,6-7H2,(H,14,17).
What are the key properties of 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one?
4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 233.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(pyrrolidin-2-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 84796016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).