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

C17H25N3O2 — CID 117208684

IUPAC4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(CC3CCN(C(C)C)CC3)c12
InChIInChI=1S/C17H25N3O2/c1-12(2)19-9-7-13(8-10-19)11-20-16-14(18-17(20)21)5-4-6-15(16)22-3/h4-6,12-13H,7-11H2,1-3H3,(H,18,21)
InChIKeyHCTOFGJKODBDHF-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.46
Rot. Bonds4

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

4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (PubChem CID 117208684) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
PubChem CID117208684
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
SMILESCOc1cccc2[nH]c(=O)n(CC3CCN(C(C)C)CC3)c12
InChIInChI=1S/C17H25N3O2/c1-12(2)19-9-7-13(8-10-19)11-20-16-14(18-17(20)21)5-4-6-15(16)22-3/h4-6,12-13H,7-11H2,1-3H3,(H,18,21)
InChIKeyHCTOFGJKODBDHF-UHFFFAOYSA-N
XLogP2.46
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(oxan-4-ylmethyl)-1H-benzimidazol-2-one
CID 117208672
3-ethyl-4-methoxy-1H-benzimidazol-2-one
CID 117209129
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
4-hydroxy-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208678
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858
3-[[1-[1-hydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]piperidin-4-yl]methyl]-1H-benzimidazol-2-one
CID 15585646
6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207108
4-methoxy-3-(1-propan-2-ylpiperidin-2-yl)-1H-benzimidazol-2-one
CID 117208814
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-cyclobutyl-4-methoxy-1H-benzimidazol-2-one
CID 117209284
3-[(1-methylpyrrolidin-3-yl)methyl]-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208607

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one (CID 117208684) is 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is COc1cccc2[nH]c(=O)n(CC3CCN(C(C)C)CC3)c12.
What is the InChIKey of 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
The InChIKey is HCTOFGJKODBDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)19-9-7-13(8-10-19)11-20-16-14(18-17(20)21)5-4-6-15(16)22-3/h4-6,12-13H,7-11H2,1-3H3,(H,18,21).
What are the key properties of 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one?
4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117208684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).