N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide

C16H22F2N4O — CID 82150236

IUPACN-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
SMILESCCCCc1nc2cc(F)c(F)cc2n1CCC(=O)NCCN
InChIInChI=1S/C16H22F2N4O/c1-2-3-4-15-21-13-9-11(17)12(18)10-14(13)22(15)8-5-16(23)20-7-6-19/h9-10H,2-8,19H2,1H3,(H,20,23)
InChIKeyOMDTWGLURBGIOR-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.12
Rot. Bonds8

About N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide

N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide (PubChem CID 82150236) has the molecular formula C16H22F2N4O and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
PubChem CID82150236
Molecular FormulaC16H22F2N4O
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC NameN-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
SMILESCCCCc1nc2cc(F)c(F)cc2n1CCC(=O)NCCN
InChIInChI=1S/C16H22F2N4O/c1-2-3-4-15-21-13-9-11(17)12(18)10-14(13)22(15)8-5-16(23)20-7-6-19/h9-10H,2-8,19H2,1H3,(H,20,23)
InChIKeyOMDTWGLURBGIOR-UHFFFAOYSA-N
XLogP2.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide 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

4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82150067
N-(2-aminoethyl)-3-[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]propanamide
CID 82150228
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
3-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N-propylpropanamide
CID 62375851
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
3-[5,6-difluoro-2-(4-hydroxybutyl)benzimidazol-1-yl]propanoic acid
CID 79193832
3-(5-amino-2-ethylbenzimidazol-1-yl)-N-propylpropanamide
CID 62506748
N-(2-aminoethyl)-3-(2-methyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)propanamide
CID 82150232
3-[5,6-difluoro-2-(2-methoxyethyl)benzimidazol-1-yl]propanoic acid
CID 62805309
2-(2-butyl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanamine
CID 82145826
3-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 66110041
4-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119866341

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide (CID 82150236) is N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide is CCCCc1nc2cc(F)c(F)cc2n1CCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide?
The InChIKey is OMDTWGLURBGIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O/c1-2-3-4-15-21-13-9-11(17)12(18)10-14(13)22(15)8-5-16(23)20-7-6-19/h9-10H,2-8,19H2,1H3,(H,20,23).
What are the key properties of N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide?
N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 82150236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).