N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide

C16H21N3O — CID 3238830

IUPACN-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide
SMILESC=CCn1c(C(C)NC(=O)CCC)nc2ccccc21
InChIInChI=1S/C16H21N3O/c1-4-8-15(20)17-12(3)16-18-13-9-6-7-10-14(13)19(16)11-5-2/h5-7,9-10,12H,2,4,8,11H2,1,3H3,(H,17,20)
InChIKeyRCAJZAIBSPNGTE-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.20
Rot. Bonds6

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

N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 3238830) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID3238830
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide
SMILESC=CCn1c(C(C)NC(=O)CCC)nc2ccccc21
InChIInChI=1S/C16H21N3O/c1-4-8-15(20)17-12(3)16-18-13-9-6-7-10-14(13)19(16)11-5-2/h5-7,9-10,12H,2,4,8,11H2,1,3H3,(H,17,20)
InChIKeyRCAJZAIBSPNGTE-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(1-prop-2-enylbenzimidazol-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-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide (CID 3238830) is N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide is C=CCn1c(C(C)NC(=O)CCC)nc2ccccc21.
What is the InChIKey of N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is RCAJZAIBSPNGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-8-15(20)17-12(3)16-18-13-9-6-7-10-14(13)19(16)11-5-2/h5-7,9-10,12H,2,4,8,11H2,1,3H3,(H,17,20).
What are the key properties of N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide?
N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 271.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 3238830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).