4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide

C15H21N3O2 — CID 35280168

IUPAC4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(NC(=O)CCCOC)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-10-18-13-8-5-4-7-12(13)16-15(18)17-14(19)9-6-11-20-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17,19)
InChIKeyVHRKXPSFEDOASI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.81
Rot. Bonds7

About 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide

4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide (PubChem CID 35280168) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide.

Molecular Properties

Compound Name4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
PubChem CID35280168
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
SMILESCCCn1c(NC(=O)CCCOC)nc2ccccc21
InChIInChI=1S/C15H21N3O2/c1-3-10-18-13-8-5-4-7-12(13)16-15(18)17-14(19)9-6-11-20-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17,19)
InChIKeyVHRKXPSFEDOASI-UHFFFAOYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
3-(4-methylphenoxy)-N-(1-propylbenzimidazol-2-yl)propanamide
CID 8914517
2-[3-oxo-3-[(1-propylbenzimidazol-2-yl)amino]propyl]pyrazole-3-carboxylic acid
CID 19492211
4-(5-methylthiophen-2-yl)-4-oxo-N-(1-propylbenzimidazol-2-yl)butanamide
CID 30178636
(2E,4E)-N-(1-propylbenzimidazol-2-yl)hexa-2,4-dienamide
CID 38011370
7-amino-N-(1-ethylbenzimidazol-2-yl)heptanamide
CID 119678504
2-(2-oxoquinoxalin-1-yl)-N-(1-propylbenzimidazol-2-yl)acetamide
CID 16585553
N-(1-propylbenzimidazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134350
N-(1-propylbenzimidazol-2-yl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17492735
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 35535185
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide?
The IUPAC name of 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide (CID 35280168) is 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide.
What is the SMILES notation for 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide?
The canonical SMILES for 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide is CCCn1c(NC(=O)CCCOC)nc2ccccc21.
What is the InChIKey of 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide?
The InChIKey is VHRKXPSFEDOASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-18-13-8-5-4-7-12(13)16-15(18)17-14(19)9-6-11-20-2/h4-5,7-8H,3,6,9-11H2,1-2H3,(H,16,17,19).
What are the key properties of 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide?
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide has a molecular weight of 275.35 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide is sourced from PubChem (CID 35280168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).