N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide

C18H19N3O3 — CID 15990354

IUPACN-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O3/c1-11-7-5-6-8-12(11)17(22)19-13-9-14-15(10-16(13)24-4)21(3)18(23)20(14)2/h5-10H,1-4H3,(H,19,22)
InChIKeyYCUNVYCZZJAPJH-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.45
Rot. Bonds3

About N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide

N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide (PubChem CID 15990354) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
PubChem CID15990354
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
SMILESCOc1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C
InChIInChI=1S/C18H19N3O3/c1-11-7-5-6-8-12(11)17(22)19-13-9-14-15(10-16(13)24-4)21(3)18(23)20(14)2/h5-10H,1-4H3,(H,19,22)
InChIKeyYCUNVYCZZJAPJH-UHFFFAOYSA-N
XLogP2.45
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylamino)-3-methoxyphenyl]-3H-isoindol-1-one
CID 25267010
2-[4-(dimethylamino)-3-methoxyphenyl]-6-methyl-3H-isoindol-1-one
CID 25267014
2-[3-(dimethylamino)-4-methoxyphenyl]-3H-isoindol-1-one
CID 25267017
2-[4-(Dimethylamino)-3-methoxyphenyl]isoindole-1,3-dione
CID 25271206
2-[3-(Dimethylamino)-4-methoxyphenyl]isoindole-1,3-dione
CID 25271533
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-3-methoxy-benzamide
CID 2988057
4-Allyloxy-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-benzamide
CID 6472813
2-(6-Methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471695
2-(((2-Methoxyphenyl)amino)methyl)isoindoline-1,3-dione
CID 752023
N-[1,3-Dimethyl-6-(morpholin-4-YL)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-methoxybenzamide
CID 24789797
N-[1,3-Diethyl-2-oxo-6-(pyrrolidin-1-YL)-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-3-methoxybenzamide
CID 24789839
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
CID 24789844

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide (CID 15990354) is N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide is COc1cc2c(cc1NC(=O)c1ccccc1C)n(C)c(=O)n2C.
What is the InChIKey of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The InChIKey is YCUNVYCZZJAPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-7-5-6-8-12(11)17(22)19-13-9-14-15(10-16(13)24-4)21(3)18(23)20(14)2/h5-10H,1-4H3,(H,19,22).
What are the key properties of N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 15990354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).