N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide

C18H19N3O2 — CID 110721777

IUPACN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2/c1-12-3-5-13(6-4-12)7-10-17(22)19-14-8-9-16-15(11-14)20-18(23)21(16)2/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyITAJIPXRUVBCNR-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.75
Rot. Bonds4

About N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide

N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide (PubChem CID 110721777) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
PubChem CID110721777
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)cc1
InChIInChI=1S/C18H19N3O2/c1-12-3-5-13(6-4-12)7-10-17(22)19-14-8-9-16-15(11-14)20-18(23)21(16)2/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyITAJIPXRUVBCNR-UHFFFAOYSA-N
XLogP2.75
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-methylphenyl)propanamide
CID 110778944
3-(2-fluorophenyl)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)propanamide
CID 110721787
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-2-(3-methylphenoxy)acetamide
CID 110721809
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
N-(1H-indazol-6-yl)-3-(4-methylphenyl)propanamide
CID 36563064
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-3-(4-ethylphenyl)propanamide
CID 49170000
2-(4-chlorophenoxy)-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)acetamide
CID 110721724
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 110721736
4-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 110616272
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide (CID 110721777) is N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2ccc3c(c2)[nH]c(=O)n3C)cc1.
What is the InChIKey of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is ITAJIPXRUVBCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-3-5-13(6-4-12)7-10-17(22)19-14-8-9-16-15(11-14)20-18(23)21(16)2/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide?
N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 110721777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).