1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one

C17H18N2O2 — CID 115576428

IUPAC1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-18-15-10-5-6-11-16(15)19(17(18)20)12-7-13-21-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3
InChIKeyKBADJJMLUWLXJN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.81
Rot. Bonds5

About 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one

1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one (PubChem CID 115576428) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
PubChem CID115576428
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCCOc2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2O2/c1-18-15-10-5-6-11-16(15)19(17(18)20)12-7-13-21-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3
InChIKeyKBADJJMLUWLXJN-UHFFFAOYSA-N
XLogP2.81
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(4-chlorophenoxy)propyl]-3-methylbenzimidazol-2-one
CID 2237155
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-4-phenoxybutanamide
CID 110396282
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-phenoxypropyl)acetamide
CID 18142814
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
5-(3-methyl-2-oxobenzimidazol-1-yl)pentanenitrile
CID 115576596
4-[4-[[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]methyl]phenoxy]butanoic acid
CID 119247012
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18136969
N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]-1-phenylmethanesulfonamide
CID 110396364
3,7-dimethyl-1-[3-(2-phenoxyethylsulfanyl)propyl]purine-2,6-dione
CID 84603199

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one (CID 115576428) is 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one is Cn1c(=O)n(CCCOc2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one?
The InChIKey is KBADJJMLUWLXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-18-15-10-5-6-11-16(15)19(17(18)20)12-7-13-21-14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3.
What are the key properties of 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one?
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one is sourced from PubChem (CID 115576428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).