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

C15H21N3O2 — CID 117206382

IUPAC7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CCCN1C(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)17-9-5-8-13(17)18-11-6-4-7-12(20-3)14(11)16-15(18)19/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,16,19)
InChIKeyJUCHNSYCCGZIPU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.34
Rot. Bonds3

About 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one

7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one (PubChem CID 117206382) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
PubChem CID117206382
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
SMILESCOc1cccc2c1[nH]c(=O)n2C1CCCN1C(C)C
InChIInChI=1S/C15H21N3O2/c1-10(2)17-9-5-8-13(17)18-11-6-4-7-12(20-3)14(11)16-15(18)19/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,16,19)
InChIKeyJUCHNSYCCGZIPU-UHFFFAOYSA-N
XLogP2.34
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one
CID 117208814
3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206342
3-cyclobutyl-7-methoxy-1H-benzimidazol-2-one
CID 117206922
3-cyclopropyl-7-methoxy-1H-benzimidazol-2-one
CID 117206915
3-cyclohexyl-7-methoxy-1H-benzimidazol-2-one
CID 117206936
7-methoxy-3-(oxan-4-yl)-1H-benzimidazol-2-one
CID 117206184
3-(1-ethylpyrrolidin-3-yl)-7-methoxy-1H-benzimidazol-2-one
CID 117206155
7-hydroxy-3-(1-methylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206376
ethyl 4-(4-methoxy-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 69176194
7-bromo-3-(1-ethylpyrrolidin-2-yl)-1H-benzimidazol-2-one
CID 117206368
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
(2S)-2-(2-methoxyphenyl)-1-propan-2-ylpyrrolidine
CID 124500769

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The IUPAC name of 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one (CID 117206382) is 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one.
What is the SMILES notation for 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The canonical SMILES for 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one is COc1cccc2c1[nH]c(=O)n2C1CCCN1C(C)C.
What is the InChIKey of 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
The InChIKey is JUCHNSYCCGZIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(2)17-9-5-8-13(17)18-11-6-4-7-12(20-3)14(11)16-15(18)19/h4,6-7,10,13H,5,8-9H2,1-3H3,(H,16,19).
What are the key properties of 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one?
7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(1-propan-2-ylpyrrolidin-2-yl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117206382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).