3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one

C14H19N3O — CID 117206342

IUPAC3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCC(C)N1CCCC1n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H19N3O/c1-10(2)16-9-5-8-13(16)17-12-7-4-3-6-11(12)15-14(17)18/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyUZADXEBLIITHRQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.33
Rot. Bonds2

About 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one

3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one (PubChem CID 117206342) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
PubChem CID117206342
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCC(C)N1CCCC1n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C14H19N3O/c1-10(2)16-9-5-8-13(16)17-12-7-4-3-6-11(12)15-14(17)18/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,15,18)
InChIKeyUZADXEBLIITHRQ-UHFFFAOYSA-N
XLogP2.33
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206382
4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one
CID 117208814
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
N-cyclohexyl-N-methyl-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanamide
CID 78819042
3-piperidin-4-yl-1H-benzimidazol-2-one;hydrobromide
CID 139765668
3-(4-hydroxycyclohexyl)-1H-benzimidazol-2-one
CID 70115038
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
3-[(3S)-1-[(2R)-2-(4-fluorophenyl)propanoyl]piperidin-3-yl]-1H-benzimidazol-2-one
CID 178098649
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
3-[1-[1-(3,4-dihydroxyphenyl)-1-oxopropan-2-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12915841
3-(4-methylcyclohex-3-en-1-yl)-1H-benzimidazol-2-one
CID 143122601
3-(3,3,4,5,5-pentadeuteriopiperidin-4-yl)-1H-benzimidazol-2-one
CID 162642414

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one (CID 117206342) is 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one is CC(C)N1CCCC1n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The InChIKey is UZADXEBLIITHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16-9-5-8-13(16)17-12-7-4-3-6-11(12)15-14(17)18/h3-4,6-7,10,13H,5,8-9H2,1-2H3,(H,15,18).
What are the key properties of 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).