N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C14H19N3O2 — CID 2036061

IUPACN-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-4-9-15-13(18)10-17-12-8-6-5-7-11(12)16(2)14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)
InChIKeyFJSOURWHZVMAHR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.26
Rot. Bonds5

About N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 2036061) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID2036061
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C14H19N3O2/c1-3-4-9-15-13(18)10-17-12-8-6-5-7-11(12)16(2)14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)
InChIKeyFJSOURWHZVMAHR-UHFFFAOYSA-N
XLogP1.26
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
1-Ebio
CID 82320
2H-Benzimidazol-2-one, 1,3-dihydro-1-phenyl-
CID 84657
Phenylthiohydantoin
CID 700731
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-amino-1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 779710
1,3-dimethyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 231553
1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-Phenylimidazolidine-2,4-dione
CID 570576
1H-Benzimidazole-1-propanoic acid, 2,3-dihydro-2-oxo-
CID 156358
2-(3-(carboxymethyl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)acetic acid
CID 228472
3-Phenylimidazolidine-2,4-dione
CID 227930

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 2036061) is N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CCCCNC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is FJSOURWHZVMAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-4-9-15-13(18)10-17-12-8-6-5-7-11(12)16(2)14(17)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,18).
What are the key properties of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 261.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 2036061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).