N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

C21H27N3O2 — CID 17436988

IUPACN-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-23-17-4-2-3-5-18(17)24(20(23)26)7-6-19(25)22-21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16H,6-13H2,1H3,(H,22,25)
InChIKeyPDIHBWSAOWKKGF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.82
Rot. Bonds4

About N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide

N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (PubChem CID 17436988) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
PubChem CID17436988
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21
InChIInChI=1S/C21H27N3O2/c1-23-17-4-2-3-5-18(17)24(20(23)26)7-6-19(25)22-21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16H,6-13H2,1H3,(H,22,25)
InChIKeyPDIHBWSAOWKKGF-UHFFFAOYSA-N
XLogP2.82
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18138324
N-(1-adamantyl)-7-(1,3-dioxoisoindol-2-yl)heptanamide
CID 3848841
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-ylpropanamide
CID 119388164
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)propanamide
CID 16590260
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451933
N-(2-methylcyclohexyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 18145024
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 16591022
N-(4-ethylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16591399
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120557615
N-(2-amino-1-cyclopropylethyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide;hydrochloride
CID 119615322
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 16594440
N-(6-azabicyclo[3.2.1]octan-2-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 167862287

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide (CID 17436988) is N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is Cn1c(=O)n(CCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21.
What is the InChIKey of N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
The InChIKey is PDIHBWSAOWKKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-17-4-2-3-5-18(17)24(20(23)26)7-6-19(25)22-21-11-14-8-15(12-21)10-16(9-14)13-21/h2-5,14-16H,6-13H2,1H3,(H,22,25).
What are the key properties of N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide?
N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide has a molecular weight of 353.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 17436988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).