5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one

C17H25N3O — CID 117207858

IUPAC5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(CC3CCN(C(C)C)CC3)c2c1
InChIInChI=1S/C17H25N3O/c1-12(2)19-8-6-14(7-9-19)11-20-16-10-13(3)4-5-15(16)18-17(20)21/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyOZEVUVZCAIUGEL-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.76
Rot. Bonds3

About 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one

5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117207858) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117207858
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCc1ccc2[nH]c(=O)n(CC3CCN(C(C)C)CC3)c2c1
InChIInChI=1S/C17H25N3O/c1-12(2)19-8-6-14(7-9-19)11-20-16-10-13(3)4-5-15(16)18-17(20)21/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,18,21)
InChIKeyOZEVUVZCAIUGEL-UHFFFAOYSA-N
XLogP2.76
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207118
6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207108
5-bromo-3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 177301987
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208684
3-[(1,1-dioxothian-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207114
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
3-(oxan-4-ylmethyl)-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82784396
3-[[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one
CID 15585646
5-fluoro-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208118
5-hydroxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazol-2-one
CID 117207805

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (CID 117207858) is 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is Cc1ccc2[nH]c(=O)n(CC3CCN(C(C)C)CC3)c2c1.
What is the InChIKey of 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is OZEVUVZCAIUGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)19-8-6-14(7-9-19)11-20-16-10-13(3)4-5-15(16)18-17(20)21/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,18,21).
What are the key properties of 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117207858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).