6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one

C16H23N3O2 — CID 117207108

IUPAC6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2CC1CCN(C(C)C)C1
InChIInChI=1S/C16H23N3O2/c1-11(2)18-7-6-12(9-18)10-19-15-5-4-13(21-3)8-14(15)17-16(19)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyHXTZFTBDTDPZTN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.07
Rot. Bonds4

About 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one

6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117207108) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117207108
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc2c(c1)[nH]c(=O)n2CC1CCN(C(C)C)C1
InChIInChI=1S/C16H23N3O2/c1-11(2)18-7-6-12(9-18)10-19-15-5-4-13(21-3)8-14(15)17-16(19)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,20)
InChIKeyHXTZFTBDTDPZTN-UHFFFAOYSA-N
XLogP2.07
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1,1-dioxothian-4-yl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207139
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83833187
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
3-[[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one
CID 15585646
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207118
3-(1-ethylpiperidin-4-yl)-6-methoxy-1H-benzimidazol-2-one
CID 117207067
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
5-fluoro-6-iodo-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazole-2-thione
CID 66102328

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one (CID 117207108) is 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one is COc1ccc2c(c1)[nH]c(=O)n2CC1CCN(C(C)C)C1.
What is the InChIKey of 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is HXTZFTBDTDPZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)18-7-6-12(9-18)10-19-15-5-4-13(21-3)8-14(15)17-16(19)20/h4-5,8,11-12H,6-7,9-10H2,1-3H3,(H,17,20).
What are the key properties of 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one?
6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 289.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117207108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).