N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide

C25H26N4O4 — CID 52899329

IUPACN'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
SMILESCC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C25H26N4O4/c1-15(2)33-22-12-9-16-7-5-6-8-18(16)19(22)14-26-23(30)24(31)27-17-10-11-20-21(13-17)29(4)25(32)28(20)3/h5-13,15H,14H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyXCHQUNQCBRPPTC-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.07
Rot. Bonds5

About N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide

N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide (PubChem CID 52899329) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
PubChem CID52899329
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC NameN'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide
SMILESCC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C25H26N4O4/c1-15(2)33-22-12-9-16-7-5-6-8-18(16)19(22)14-26-23(30)24(31)27-17-10-11-20-21(13-17)29(4)25(32)28(20)3/h5-13,15H,14H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyXCHQUNQCBRPPTC-UHFFFAOYSA-N
XLogP3.07
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 49295852
N-[(2-chlorophenyl)methyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295823
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-(1-phenylethyl)oxamide
CID 49295659
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 51053458
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
(1S,4R)-4-[(2-propan-2-yloxynaphthalen-1-yl)methylcarbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167926415
2-(methylcarbamoylamino)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]acetamide
CID 122143805
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 52996681
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3,4-diethoxybenzamide
CID 49199824
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
CID 7443433
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 49170375
N,N'-bis[(2-propan-2-yloxynaphthalen-1-yl)methyl]hexane-1,6-diamine;methanesulfonic acid
CID 44531928

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide?
The IUPAC name of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide (CID 52899329) is N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide.
What is the SMILES notation for N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide?
The canonical SMILES for N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide is CC(C)Oc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide?
The InChIKey is XCHQUNQCBRPPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-15(2)33-22-12-9-16-7-5-6-8-18(16)19(22)14-26-23(30)24(31)27-17-10-11-20-21(13-17)29(4)25(32)28(20)3/h5-13,15H,14H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide?
N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide has a molecular weight of 446.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-[(2-propan-2-yloxynaphthalen-1-yl)methyl]oxamide is sourced from PubChem (CID 52899329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).