3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one

C16H23N3O2 — CID 102788671

IUPAC3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESCC1CCN(CCCn2c(=O)[nH]c3ccccc32)C1CO
InChIInChI=1S/C16H23N3O2/c1-12-7-10-18(15(12)11-20)8-4-9-19-14-6-3-2-5-13(14)17-16(19)21/h2-3,5-6,12,15,20H,4,7-11H2,1H3,(H,17,21)
InChIKeyCQFKRWLYDCCYKE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.42
Rot. Bonds5

About 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 102788671) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one
PubChem CID102788671
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESCC1CCN(CCCn2c(=O)[nH]c3ccccc32)C1CO
InChIInChI=1S/C16H23N3O2/c1-12-7-10-18(15(12)11-20)8-4-9-19-14-6-3-2-5-13(14)17-16(19)21/h2-3,5-6,12,15,20H,4,7-11H2,1H3,(H,17,21)
InChIKeyCQFKRWLYDCCYKE-UHFFFAOYSA-N
XLogP1.42
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-piperidin-4-yloxypropyl)-1H-benzimidazol-2-one
CID 106937632
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 10427916
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
CID 70523740
CID 70523740
3-[3-(2-amino-2-methylpropoxy)propyl]-1H-benzimidazol-2-one
CID 106938183
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,3-dimethylbenzoate
CID 2685940
3-[3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 167883650
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one (CID 102788671) is 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one is CC1CCN(CCCn2c(=O)[nH]c3ccccc32)C1CO.
What is the InChIKey of 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is CQFKRWLYDCCYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-7-10-18(15(12)11-20)8-4-9-19-14-6-3-2-5-13(14)17-16(19)21/h2-3,5-6,12,15,20H,4,7-11H2,1H3,(H,17,21).
What are the key properties of 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one?
3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 102788671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).