N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide

C15H21N3O — CID 4686479

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CC
InChIInChI=1S/C15H21N3O/c1-4-8-14(19)16-11(3)15-17-12-9-6-7-10-13(12)18(15)5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyQKAJOACYASNODO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.03
Rot. Bonds5

About N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 4686479) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID4686479
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CC
InChIInChI=1S/C15H21N3O/c1-4-8-14(19)16-11(3)15-17-12-9-6-7-10-13(12)18(15)5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,19)
InChIKeyQKAJOACYASNODO-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide (CID 4686479) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide is CCCC(=O)NC(C)c1nc2ccccc2n1CC.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is QKAJOACYASNODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-8-14(19)16-11(3)15-17-12-9-6-7-10-13(12)18(15)5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 259.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 4686479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).