5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one

C17H18N2O2 — CID 62299917

IUPAC5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1ccccc1C(O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H18N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10,16,20H,1-3H3
InChIKeyFSXOCPVOULWXBC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.27
Rot. Bonds2

About 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one

5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 62299917) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID62299917
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCc1ccccc1C(O)c1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C17H18N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10,16,20H,1-3H3
InChIKeyFSXOCPVOULWXBC-UHFFFAOYSA-N
XLogP2.27
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromophenyl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 62300091
5-[(3-bromophenyl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 62300264
5-[(5-bromo-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 79999176
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
3-ethyl-6-[hydroxy-(2-methylphenyl)methyl]-1,3-benzoxazol-2-one
CID 62301115
5-[chloro(phenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62300779
1,3-dimethyl-5-(2,2,3,3-tetrafluoro-1-hydroxypropyl)benzimidazol-2-one
CID 79660272
5-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-1,3-dimethylbenzimidazol-2-one
CID 80536807
5-[bromo-(2-methylfuran-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62298684
5-(2-ethyl-1-hydroxybutyl)-1,3-dimethylbenzimidazol-2-one
CID 62299747
5-[bromo-(4-methylthiophen-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79807721
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 62299917) is 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one is Cc1ccccc1C(O)c1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is FSXOCPVOULWXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-6-4-5-7-13(11)16(20)12-8-9-14-15(10-12)19(3)17(21)18(14)2/h4-10,16,20H,1-3H3.
What are the key properties of 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-(2-methylphenyl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62299917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).